6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide

C16H11BrClN3O2 — CID 20583233

IUPAC6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2cnc(Br)cc2c1=O
InChIInChI=1S/C16H11BrClN3O2/c17-14-5-11-13(8-20-14)19-7-12(15(11)22)16(23)21-6-9-1-3-10(18)4-2-9/h1-5,7-8H,6H2,(H,19,22)(H,21,23)
InChIKeyXJFBENVSSJXEJO-UHFFFAOYSA-N
MW392.64 g/mol
LogP3.27
Rot. Bonds3

About 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide

6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide (PubChem CID 20583233) has the molecular formula C16H11BrClN3O2 and a molecular weight of 392.64 g/mol. Its IUPAC name is 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
PubChem CID20583233
Molecular FormulaC16H11BrClN3O2
Molecular Weight392.64 g/mol
Exact Mass390.97
IUPAC Name6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2cnc(Br)cc2c1=O
InChIInChI=1S/C16H11BrClN3O2/c17-14-5-11-13(8-20-14)19-7-12(15(11)22)16(23)21-6-9-1-3-10(18)4-2-9/h1-5,7-8H,6H2,(H,19,22)(H,21,23)
InChIKeyXJFBENVSSJXEJO-UHFFFAOYSA-N
XLogP3.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
CID 22722030
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 139979668
6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)
CID 20794326
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
N-[(4-chlorophenyl)methyl]-6-fluoro-7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 10363006
N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide
CID 142265619
N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-prop-2-ynyl-1H-quinoline-3-carboxamide
CID 87958223

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide (CID 20583233) is 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c[nH]c2cnc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The InChIKey is XJFBENVSSJXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3O2/c17-14-5-11-13(8-20-14)19-7-12(15(11)22)16(23)21-6-9-1-3-10(18)4-2-9/h1-5,7-8H,6H2,(H,19,22)(H,21,23).
What are the key properties of 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide has a molecular weight of 392.64 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 20583233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).