6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid

C15H20N2O3 — CID 63997792

IUPAC6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1CCC(NC(=O)c2cccc(C(=O)O)n2)C(C)C1
InChIInChI=1S/C15H20N2O3/c1-9-6-7-11(10(2)8-9)17-14(18)12-4-3-5-13(16-12)15(19)20/h3-5,9-11H,6-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOZBPWIUQLXAETA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds3

About 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid

6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 63997792) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID63997792
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC1CCC(NC(=O)c2cccc(C(=O)O)n2)C(C)C1
InChIInChI=1S/C15H20N2O3/c1-9-6-7-11(10(2)8-9)17-14(18)12-4-3-5-13(16-12)15(19)20/h3-5,9-11H,6-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOZBPWIUQLXAETA-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
CID 115910448
6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904706
6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82737181
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 63997179
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055688
2-[(2,4-dimethylcyclohexyl)amino]pyrimidine-4-carboxylic acid
CID 107554016
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
N-(2,4-dimethylcyclohexyl)-6-hydrazinylpyridazine-3-carboxamide
CID 63999016
N-(2,4-dimethylcyclohexyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641444
6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409955
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66389764

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid (CID 63997792) is 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid is CC1CCC(NC(=O)c2cccc(C(=O)O)n2)C(C)C1.
What is the InChIKey of 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OZBPWIUQLXAETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-6-7-11(10(2)8-9)17-14(18)12-4-3-5-13(16-12)15(19)20/h3-5,9-11H,6-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63997792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).