1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid

C21H24N2O4 — CID 170510576

IUPAC1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2cccc(C(=O)N(C)C3CCCCC3)c2)c(=O)c1C(=O)O
InChIInChI=1S/C21H24N2O4/c1-14-11-12-23(20(25)18(14)21(26)27)17-10-6-7-15(13-17)19(24)22(2)16-8-4-3-5-9-16/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,26,27)
InChIKeyMHXLHYMHFJKOMY-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.25
Rot. Bonds4

About 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid

1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170510576) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170510576
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2cccc(C(=O)N(C)C3CCCCC3)c2)c(=O)c1C(=O)O
InChIInChI=1S/C21H24N2O4/c1-14-11-12-23(20(25)18(14)21(26)27)17-10-6-7-15(13-17)19(24)22(2)16-8-4-3-5-9-16/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,26,27)
InChIKeyMHXLHYMHFJKOMY-UHFFFAOYSA-N
XLogP3.25
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-bromo-N-cyclopentyl-N-methylbenzamide
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N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
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4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid
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N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170510576) is 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccn(-c2cccc(C(=O)N(C)C3CCCCC3)c2)c(=O)c1C(=O)O.
What is the InChIKey of 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is MHXLHYMHFJKOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-11-12-23(20(25)18(14)21(26)27)17-10-6-7-15(13-17)19(24)22(2)16-8-4-3-5-9-16/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,26,27).
What are the key properties of 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170510576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).