3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H18N2O4 — CID 63042033

IUPAC3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-16-6-5-9(8-12(16)17)13(18)15-11-4-2-3-10(7-11)14(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyOCFMPWOVMQJLJC-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.76
Rot. Bonds3

About 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63042033) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63042033
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1=O
InChIInChI=1S/C14H18N2O4/c1-16-6-5-9(8-12(16)17)13(18)15-11-4-2-3-10(7-11)14(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyOCFMPWOVMQJLJC-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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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63042033) is 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1=O.
What is the InChIKey of 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is OCFMPWOVMQJLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16-6-5-9(8-12(16)17)13(18)15-11-4-2-3-10(7-11)14(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(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 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).