N-((6-chloropyridin-3-yl)methyl)-N'-cyano-N-methylacetamidine

ID: ALA265941

Chembl Id: CHEMBL265941

Max Phase: Preclinical

Molecular Formula: C10H11ClN4

Molecular Weight: 222.68

Molecule Type: Small molecule

Names and Identifiers

Synonyms: acetamiprid

Canonical SMILES:  C/C(=N\C#N)N(C)Cc1ccc(Cl)nc1

Standard InChI:  InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+

Standard InChI Key:  WCXDHFDTOYPNIE-RIYZIHGNSA-N

Alternative Forms

1. Parent:

   

   ALA265941

   ACETAMIPRID

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: 222.68

Molecular Weight (Monoisotopic): 222.0672

AlogP: 2.07

#Rotatable Bonds: 2

Polar Surface Area: 52.28

Molecular Species: NEUTRAL

HBA: 3

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 4.16

CX LogP: 1.11

CX LogD: 1.11

Aromatic Rings: 1

Heavy Atoms: 15

QED Weighted: 0.33

Np Likeness Score: -1.77

References

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Source

Source(1):

• Scientific Literature