1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid

C14H19N3O3 — CID 61292222

IUPAC1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(Nc2cc(C(N)=O)ccn2)(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9-3-2-5-14(8-9,13(19)20)17-11-7-10(12(15)18)4-6-16-11/h4,6-7,9H,2-3,5,8H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyOSNNMZXMEUZHNU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.63
Rot. Bonds4

About 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61292222) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID61292222
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(Nc2cc(C(N)=O)ccn2)(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9-3-2-5-14(8-9,13(19)20)17-11-7-10(12(15)18)4-6-16-11/h4,6-7,9H,2-3,5,8H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyOSNNMZXMEUZHNU-UHFFFAOYSA-N
XLogP1.63
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 61292222) is 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(Nc2cc(C(N)=O)ccn2)(C(=O)O)C1.
What is the InChIKey of 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is OSNNMZXMEUZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-3-2-5-14(8-9,13(19)20)17-11-7-10(12(15)18)4-6-16-11/h4,6-7,9H,2-3,5,8H2,1H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).