2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid

C14H18N2O3 — CID 53270856

IUPAC2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC1CCC(NC(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-9-4-6-10(7-5-9)16-13(17)12-11(14(18)19)3-2-8-15-12/h2-3,8-10H,4-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyBVFZQRTYEGZFAN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.09
Rot. Bonds3

About 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid

2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53270856) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53270856
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC1CCC(NC(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-9-4-6-10(7-5-9)16-13(17)12-11(14(18)19)3-2-8-15-12/h2-3,8-10H,4-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyBVFZQRTYEGZFAN-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]pyridine-3-carboxylic acid
CID 79377281
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 64655940
3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107519432
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid
CID 114628887
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid (CID 53270856) is 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid is CC1CCC(NC(=O)c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is BVFZQRTYEGZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-4-6-10(7-5-9)16-13(17)12-11(14(18)19)3-2-8-15-12/h2-3,8-10H,4-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53270856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).