6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide

C17H13BrFN3O2 — CID 166831334

IUPAC6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1cc2cc(Br)cnc2[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C17H13BrFN3O2/c1-9(10-2-4-13(19)5-3-10)21-16(23)14-7-11-6-12(18)8-20-15(11)22-17(14)24/h2-9H,1H3,(H,21,23)(H,20,22,24)
InChIKeySNMKYEMNAUNDDN-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.32
Rot. Bonds3

About 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide

6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 166831334) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID166831334
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Name6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1cc2cc(Br)cnc2[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C17H13BrFN3O2/c1-9(10-2-4-13(19)5-3-10)21-16(23)14-7-11-6-12(18)8-20-15(11)22-17(14)24/h2-9H,1H3,(H,21,23)(H,20,22,24)
InChIKeySNMKYEMNAUNDDN-UHFFFAOYSA-N
XLogP3.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 166831227
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 113237232
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60638460
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455
2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 16589971
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62248977
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 166831334) is 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1cc2cc(Br)cnc2[nH]c1=O)c1ccc(F)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is SNMKYEMNAUNDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c1-9(10-2-4-13(19)5-3-10)21-16(23)14-7-11-6-12(18)8-20-15(11)22-17(14)24/h2-9H,1H3,(H,21,23)(H,20,22,24).
What are the key properties of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 390.21 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).