4-methyl-6-(3-(methylamino)propyl)pyridin-2-amine

ID: ALA5191295

Chembl Id: CHEMBL5191295

PubChem CID: 162463142

Max Phase: Preclinical

Molecular Formula: C10H17N3

Molecular Weight: 179.27

Names and Identifiers

Canonical SMILES:  CNCCCc1cc(C)cc(N)n1

Standard InChI:  InChI=1S/C10H17N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,3-5H2,1-2H3,(H2,11,13)

Standard InChI Key:  MOHLCKRYTZYOGZ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5191295

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 179.27

Molecular Weight (Monoisotopic): 179.1422

AlogP: 1.12

#Rotatable Bonds: 4

Polar Surface Area: 50.94

Molecular Species: BASE

HBA: 3

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 3

HBD (Lipinski): 3

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 10.19

CX LogP: 1.20

CX LogD: -1.50

Aromatic Rings: 1

Heavy Atoms: 13

QED Weighted: 0.68

Np Likeness Score: -0.27

References

1. Vasu D, Li H, Hardy CD, Poulos TL, Silverman RB..  (2022)  2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.,  69  [PMID:35772285] [10.1016/j.bmc.2022.116878]

Source

Source(1):

• Scientific Literature