4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H18N2O4 — CID 60808224

IUPAC4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-16-7-6-10(8-12(16)17)13(18)15-11-4-2-9(3-5-11)14(19)20/h6-9,11H,2-5H2,1H3,(H,15,18)(H,19,20)
InChIKeyDCLMGEUZWFCTOM-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.76
Rot. Bonds3

About 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808224) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808224
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-16-7-6-10(8-12(16)17)13(18)15-11-4-2-9(3-5-11)14(19)20/h6-9,11H,2-5H2,1H3,(H,15,18)(H,19,20)
InChIKeyDCLMGEUZWFCTOM-UHFFFAOYSA-N
XLogP0.76
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-{rel-(3R,4S)-4-(dimethylamino)-1-[(2-hydroxy-6-isopropyl-3-pyridinyl)carbonyl]-3-piperidinyl}propanoic acid
CID 72903791
1-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350918
4-[[(2E)-penta-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 169607685
4-[[(2E)-2-(dimethylaminomethylidene)-3-oxobutanoyl]amino]cyclohexane-1-carboxylic acid
CID 174222355
4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21804993
4-[(1-Methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21805076
4-Methyl-1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43360617
4-[[(2E,4E)-hexa-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 54921590
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808542
4-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60808701
4-(3-Methylbut-2-enoylamino)cyclohexane-1-carboxylic acid
CID 60809020

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60808224) is 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1=O.
What is the InChIKey of 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DCLMGEUZWFCTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16-7-6-10(8-12(16)17)13(18)15-11-4-2-9(3-5-11)14(19)20/h6-9,11H,2-5H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).