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

C14H18N2O4 — CID 120539554

IUPAC1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1cc[nH]c(=O)c1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H18N2O4/c1-16(12(18)10-5-8-15-11(17)9-10)14(13(19)20)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,17)(H,19,20)
InChIKeyYYWZIHYMUHDBAR-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.23
Rot. Bonds3

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

1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120539554) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120539554
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1cc[nH]c(=O)c1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H18N2O4/c1-16(12(18)10-5-8-15-11(17)9-10)14(13(19)20)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,17)(H,19,20)
InChIKeyYYWZIHYMUHDBAR-UHFFFAOYSA-N
XLogP1.23
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120539554) is 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)c1cc[nH]c(=O)c1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YYWZIHYMUHDBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(12(18)10-5-8-15-11(17)9-10)14(13(19)20)6-3-2-4-7-14/h5,8-9H,2-4,6-7H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).