5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid

C15H14N2O3 — CID 53224075

IUPAC5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)c1cccc(-c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-2-17-14(18)11-5-3-4-10(6-11)12-7-13(15(19)20)9-16-8-12/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyDBWSEAFASXHJTL-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.20
Rot. Bonds4

About 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid

5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224075) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53224075
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)c1cccc(-c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-2-17-14(18)11-5-3-4-10(6-11)12-7-13(15(19)20)9-16-8-12/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyDBWSEAFASXHJTL-UHFFFAOYSA-N
XLogP2.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide
CID 42845804
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
CID 119641823
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
5-[2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl]pyridine-3-carboxylic acid
CID 21366066
2-chloro-6-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227852
2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
CID 53227842
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid (CID 53224075) is 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid is CCNC(=O)c1cccc(-c2cncc(C(=O)O)c2)c1.
What is the InChIKey of 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is DBWSEAFASXHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-17-14(18)11-5-3-4-10(6-11)12-7-13(15(19)20)9-16-8-12/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).