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

C14H18N2O4 — CID 103887691

IUPAC4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(=O)c(C(=O)NC2CCC(C(=O)O)CC2)c[nH]1
InChIInChI=1S/C14H18N2O4/c1-8-6-12(17)11(7-15-8)13(18)16-10-4-2-9(3-5-10)14(19)20/h6-7,9-10H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyBCDURMHUQZJJPX-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.06
Rot. Bonds3

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

4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 103887691) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID103887691
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(=O)c(C(=O)NC2CCC(C(=O)O)CC2)c[nH]1
InChIInChI=1S/C14H18N2O4/c1-8-6-12(17)11(7-15-8)13(18)16-10-4-2-9(3-5-10)14(19)20/h6-7,9-10H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyBCDURMHUQZJJPX-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 103887691) is 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(=O)c(C(=O)NC2CCC(C(=O)O)CC2)c[nH]1.
What is the InChIKey of 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BCDURMHUQZJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-6-12(17)11(7-15-8)13(18)16-10-4-2-9(3-5-10)14(19)20/h6-7,9-10H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103887691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).