1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H16N2O4 — CID 24698201

IUPAC1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4/c16-10-5-4-9(8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWBGMFQLBEMRMMD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.89
Rot. Bonds3

About 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 24698201) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID24698201
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4/c16-10-5-4-9(8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWBGMFQLBEMRMMD-UHFFFAOYSA-N
XLogP0.89
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-Butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70691826
1-[[2-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 71942702
1-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350918
8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
1-(2-Oxo-1,2-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24691617
methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 47141715
1-[(1-Butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67520083
1-[[5-Ethyl-1-(3-methylbutyl)-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69472754
1-[(1,6-Dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 69474703
1-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 69475510
1-[(1-Butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 69475557
3-(6-Methylcyclohexa-1,3-dien-1-yl)-2-(prop-2-enoylamino)propanoic acid
CID 126747901

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 24698201) is 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WBGMFQLBEMRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10-5-4-9(8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24698201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).