2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid

C15H13FN2O3 — CID 63615886

IUPAC2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C15H13FN2O3/c16-11-4-1-3-10(9-11)6-8-18-14(19)13-12(15(20)21)5-2-7-17-13/h1-5,7,9H,6,8H2,(H,18,19)(H,20,21)
InChIKeyOAFYVQNKAQFDRE-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid

2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615886) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63615886
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C15H13FN2O3/c16-11-4-1-3-10(9-11)6-8-18-14(19)13-12(15(20)21)5-2-7-17-13/h1-5,7,9H,6,8H2,(H,18,19)(H,20,21)
InChIKeyOAFYVQNKAQFDRE-UHFFFAOYSA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
3-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 105388258
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 53271007
N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62615627

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 63615886) is 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is OAFYVQNKAQFDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-11-4-1-3-10(9-11)6-8-18-14(19)13-12(15(20)21)5-2-7-17-13/h1-5,7,9H,6,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 288.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).