4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H16N2O4 — CID 114040063

IUPAC4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cccc(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c16-11-3-1-2-10(15-11)12(17)14-9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyDLBUYKHCSPXSMJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.75
Rot. Bonds3

About 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114040063) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID114040063
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cccc(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c16-11-3-1-2-10(15-11)12(17)14-9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyDLBUYKHCSPXSMJ-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120184755
3-[1-(1-Methyl-6-oxo-1,6-dihydropyridine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120536651
4-[[(2E)-penta-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 169607685
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-[[(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-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808224
4-[[2-Oxo-2-(prop-2-enylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60808261
4-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808417
4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808542
4-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 114040063) is 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cccc(=O)[nH]1.
What is the InChIKey of 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DLBUYKHCSPXSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-3-1-2-10(15-11)12(17)14-9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114040063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).