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

C14H18N2O4 — CID 61293205

IUPAC2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-9-5-2-3-7-14(9,13(19)20)16-12(18)10-6-4-8-15-11(10)17/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGWZOEXWWGISVPE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.14
Rot. Bonds3

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

2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61293205) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61293205
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-9-5-2-3-7-14(9,13(19)20)16-12(18)10-6-4-8-15-11(10)17/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGWZOEXWWGISVPE-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61293205) is 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)c1ccc[nH]c1=O)C(=O)O.
What is the InChIKey of 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GWZOEXWWGISVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-5-2-3-7-14(9,13(19)20)16-12(18)10-6-4-8-15-11(10)17/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-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 2-methyl-1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61293205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).