2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid

C15H22N2O3 — CID 63614926

IUPAC2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCCCC(CC)CNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-5-7-11(4-2)10-17-14(18)13-12(15(19)20)8-6-9-16-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySHWZTHBUXVBSIA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.73
Rot. Bonds8

About 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid

2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63614926) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63614926
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCCCC(CC)CNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-5-7-11(4-2)10-17-14(18)13-12(15(19)20)8-6-9-16-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySHWZTHBUXVBSIA-UHFFFAOYSA-N
XLogP2.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
CID 103790246
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
2-(2-ethylhexylcarbamoyl)thiophene-3-carboxylic acid
CID 135271179
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid (CID 63614926) is 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid is CCCCC(CC)CNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is SHWZTHBUXVBSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-5-7-11(4-2)10-17-14(18)13-12(15(19)20)8-6-9-16-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid?
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63614926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).