5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H12BrFN2O2 — CID 53362040

IUPAC5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C14H12BrFN2O2/c15-12-7-10(8-18-14(12)20)13(19)17-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20)
InChIKeyKSBXDIFZUXZMKI-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.25
Rot. Bonds4

About 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 53362040) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID53362040
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C14H12BrFN2O2/c15-12-7-10(8-18-14(12)20)13(19)17-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20)
InChIKeyKSBXDIFZUXZMKI-UHFFFAOYSA-N
XLogP2.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119508914
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 71873278
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666389
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 53362040) is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KSBXDIFZUXZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-12-7-10(8-18-14(12)20)13(19)17-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 339.16 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 53362040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).