N-Cyclopentyl-formamide

ID: ALA295789

Chembl Id: CHEMBL295789

Cas Number: 41215-40-1

PubChem CID: 253317

Max Phase: Preclinical

Molecular Formula: C6H11NO

Molecular Weight: 113.16

Molecule Type: Small molecule

Names and Identifiers

Synonyms: N-Cyclopentyl-Formamide | N-cyclopentylformamide|41215-40-1|Formamide, N-cyclopentyl-|N-Cyclopentyl-formamide|CHEMBL295789|NSC76129|starbld0031727|NCIOpen2_000738|SCHEMBL26242|SCHEMBL14283003|DTXSID20291514|BDBM50064280|NSC-76129|AKOS006352896|PD119892

Canonical SMILES:  O=CNC1CCCC1

Standard InChI:  InChI=1S/C6H11NO/c8-5-7-6-3-1-2-4-6/h5-6H,1-4H2,(H,7,8)

Standard InChI Key:  WYLHQTSQMKMTGM-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA295789

   N-cyclopentylformamide

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 113.16

Molecular Weight (Monoisotopic): 113.0841

AlogP: 0.67

#Rotatable Bonds: 2

Polar Surface Area: 29.10

Molecular Species: NEUTRAL

HBA: 1

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 2

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 0.50

CX LogD: 0.50

Aromatic Rings: ┄

Heavy Atoms: 8

QED Weighted: 0.52

Np Likeness Score: 0.42

References

1. Schindler JF, Berst KB, Plapp BV..  (1998)  Inhibition of human alcohol dehydrogenases by formamides.,  41  (10): [PMID:9572895] [10.1021/jm9707380]

Source

Source(1):

• Scientific Literature