6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid

C15H20N2O3 — CID 61444061

IUPAC6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(CC1CCCCC1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H20N2O3/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-13(16-12)15(19)20/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,19,20)
InChIKeyWYJZMAQWAFYWJV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds4

About 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid

6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 61444061) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID61444061
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCN(CC1CCCCC1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H20N2O3/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-13(16-12)15(19)20/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,19,20)
InChIKeyWYJZMAQWAFYWJV-UHFFFAOYSA-N
XLogP2.43
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
N-(cyclopropylmethyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62238964
6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 62546139
N-(cyclobutylmethyl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 62856982
N-(cyclopropylmethyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236607
6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 106903990
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide
CID 113381864
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375737

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid (CID 61444061) is 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid is CN(CC1CCCCC1)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WYJZMAQWAFYWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-13(16-12)15(19)20/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,19,20).
What are the key properties of 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61444061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).