4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid

C15H22N2O3 — CID 103790246

IUPAC4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCCCC(CC)CNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-3-5-6-11(4-2)10-17-14(18)12-7-8-16-13(9-12)15(19)20/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOCPFPGNZIQUSIU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.73
Rot. Bonds8

About 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid

4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 103790246) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID103790246
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCCCC(CC)CNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-3-5-6-11(4-2)10-17-14(18)12-7-8-16-13(9-12)15(19)20/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOCPFPGNZIQUSIU-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

N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
CID 63614926
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
[2-chloro-5-[[(2R)-2-ethylhexyl]carbamoyl]phenyl]boronic acid
CID 99738113
4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
CID 107817694
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
CID 134016715
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
CID 55026773
3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
CID 100546421
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid (CID 103790246) is 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid is CCCCC(CC)CNC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is OCPFPGNZIQUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-5-6-11(4-2)10-17-14(18)12-7-8-16-13(9-12)15(19)20/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid?
4-(2-ethylhexylcarbamoyl)pyridine-2-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 4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 103790246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).