Molecule ID: 448042

IUPAC Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

Description: The molecule is a monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a monocarboxylic acid amide, a member of pyridines and a primary amino compound.

SMILES: C[C@@H](N)C1CCC(C(=O)N=c2cc[nH]cc2)CC1

SELFIES: [C][C@@H1][Branch1][C][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][=C][C][=C][NH1][C][=C][Ring1][=Branch1][C][C][Ring1][#C]

InChI: InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m1/s1

Molecular Properties:
- Polar Surface Area: 68.0 Ų
- LogP: 0.9