6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid

C16H22N2O3 — CID 104691187

IUPAC6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
SMILESCCC1CCCCCN1C(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C16H22N2O3/c1-3-12-7-5-4-6-10-18(12)15(19)14-9-8-13(16(20)21)11(2)17-14/h8-9,12H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyMALJYHOOSJQRJW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.88
Rot. Bonds3

About 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid

6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 104691187) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
PubChem CID104691187
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
SMILESCCC1CCCCCN1C(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C16H22N2O3/c1-3-12-7-5-4-6-10-18(12)15(19)14-9-8-13(16(20)21)11(2)17-14/h8-9,12H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyMALJYHOOSJQRJW-UHFFFAOYSA-N
XLogP2.88
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-(azepan-1-yl)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312558
6-[2-(hydroxymethyl)azepane-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 116636076
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 62242086
[6-(diethylamino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109373283
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylazepan-1-yl)methanone
CID 104689698
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
N-ethyl-6-(2-ethylpiperidine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109099642
N-(2,6-dimethylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099638
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid (CID 104691187) is 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid is CCC1CCCCCN1C(=O)c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is MALJYHOOSJQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-12-7-5-4-6-10-18(12)15(19)14-9-8-13(16(20)21)11(2)17-14/h8-9,12H,3-7,10H2,1-2H3,(H,20,21).
What are the key properties of 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 104691187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).