4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

C13H17N3O3 — CID 64587755

IUPAC4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H17N3O3/c14-12(17)10-2-1-3-11(16-10)15-9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyLVPLOTQPWFDREJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.24
Rot. Bonds4

About 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64587755) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64587755
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H17N3O3/c14-12(17)10-2-1-3-11(16-10)15-9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyLVPLOTQPWFDREJ-UHFFFAOYSA-N
XLogP1.24
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-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

Related Compounds

6-(azetidin-3-ylamino)pyridine-2-carboxamide
CID 66188207
6-[(3-aminocyclobutyl)amino]pyridine-2-carboxamide
CID 64588385
4-[(6-methyl-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 54913613
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
CID 122058210
6-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 173112160
4-[(2-phenylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060125
4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122059980
6-benzamidopyridine-2-carboxamide
CID 69135492
4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 118092598
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 122048859

Frequently Asked Questions

What is the IUPAC name of 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (CID 64587755) is 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is NC(=O)c1cccc(NC2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LVPLOTQPWFDREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(17)10-2-1-3-11(16-10)15-9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64587755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).