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

C14H18N2O4 — CID 43341405

IUPAC4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2ccc(=O)[nH]c2)(C(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c1-9-4-6-14(7-5-9,13(19)20)16-12(18)10-2-3-11(17)15-8-10/h2-3,8-9H,4-7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeySRWIJUKAQUYLEC-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.14
Rot. Bonds3

About 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341405) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341405
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2ccc(=O)[nH]c2)(C(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c1-9-4-6-14(7-5-9,13(19)20)16-12(18)10-2-3-11(17)15-8-10/h2-3,8-9H,4-7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeySRWIJUKAQUYLEC-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-Butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70691826
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-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 47141715
1-[[6-Ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 69472746
1-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 69475510
3-(6-Methylcyclohexa-1,3-dien-1-yl)-2-(prop-2-enoylamino)propanoic acid
CID 126747901
1-[[6-Ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 143720861
methyl 1-aminocyclohexane-1-carboxylate;methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 158070992
methyl 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate;1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 161848146
1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43151430

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341405) is 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)c2ccc(=O)[nH]c2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SRWIJUKAQUYLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-4-6-14(7-5-9,13(19)20)16-12(18)10-2-3-11(17)15-8-10/h2-3,8-9H,4-7H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(6-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 4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).