4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H20N2O4 — CID 120673991

IUPAC4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(=O)n(C)cc1NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-9-7-13(18)17(2)8-12(9)16-14(19)10-3-5-11(6-4-10)15(20)21/h7-8,10-11H,3-6H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyINNQEQMHQWIGRF-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.52
Rot. Bonds3

About 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673991) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673991
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(=O)n(C)cc1NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-9-7-13(18)17(2)8-12(9)16-14(19)10-3-5-11(6-4-10)15(20)21/h7-8,10-11H,3-6H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyINNQEQMHQWIGRF-UHFFFAOYSA-N
XLogP1.52
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
CID 119343326
(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 124507659
(2R,3R)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methyloxane-3-carboxamide
CID 129399642
N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 127616242
trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96522930
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
(2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 96522942
(2R)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 96522941
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673991) is 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(=O)n(C)cc1NC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is INNQEQMHQWIGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-7-13(18)17(2)8-12(9)16-14(19)10-3-5-11(6-4-10)15(20)21/h7-8,10-11H,3-6H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).