3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H18N2O4 — CID 61289779

IUPAC3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)c2ccc[nH]c2=O)(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-9-4-2-6-14(8-9,13(19)20)16-12(18)10-5-3-7-15-11(10)17/h3,5,7,9H,2,4,6,8H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGNWRBMBCOBTWGG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.14
Rot. Bonds3

About 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61289779) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61289779
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)c2ccc[nH]c2=O)(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c1-9-4-2-6-14(8-9,13(19)20)16-12(18)10-5-3-7-15-11(10)17/h3,5,7,9H,2,4,6,8H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGNWRBMBCOBTWGG-UHFFFAOYSA-N
XLogP1.14
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350918
1-(2-Oxo-1,2-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24691617
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
methyl 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 57672828
methyl 1-[[(E)-2-(ethenylcarbamoyl)but-2-enoyl]amino]cyclohexane-1-carboxylate
CID 68343778
methyl 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate;1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 158090619
2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid
CID 158375774
methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 160370411
iodo 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 163472802
1-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43169520
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-amido)cycloheptane-1-carboxylic acid
CID 43172632
4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341405

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61289779) is 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)c2ccc[nH]c2=O)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GNWRBMBCOBTWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-4-2-6-14(8-9,13(19)20)16-12(18)10-5-3-7-15-11(10)17/h3,5,7,9H,2,4,6,8H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61289779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).