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

C13H16N2O4 — CID 60808216

IUPAC4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4/c16-11-6-3-9(7-14-11)12(17)15-10-4-1-8(2-5-10)13(18)19/h3,6-8,10H,1-2,4-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyPPRDCEZIWYUFJD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.75
Rot. Bonds3

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

4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808216) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808216
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4/c16-11-6-3-9(7-14-11)12(17)15-10-4-1-8(2-5-10)13(18)19/h3,6-8,10H,1-2,4-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyPPRDCEZIWYUFJD-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-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
N-(1-butylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 47363948
N-(1-methyl-6-oxopiperidin-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 64668240
N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113394807
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 91632008
6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide
CID 71886114
N-(2-methylcyclopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 63279324
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 60809997
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
CID 158648688

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60808216) is 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PPRDCEZIWYUFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-6-3-9(7-14-11)12(17)15-10-4-1-8(2-5-10)13(18)19/h3,6-8,10H,1-2,4-5H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(6-oxo-1H-pyridine-3-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-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).