6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium

C17H12BrClN3O2Y- — CID 59061940

IUPAC6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium
SMILESCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(Br)n[c-]c21.[Y]
InChIInChI=1S/C17H12BrClN3O2.Y/c1-22-9-13(16(23)12-6-15(18)20-8-14(12)22)17(24)21-7-10-2-4-11(19)5-3-10;/h2-6,9H,7H2,1H3,(H,21,24);/q-1;
InChIKeyRDBQEQQVKLEBQU-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.08
Rot. Bonds3

About 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium

6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium (PubChem CID 59061940) has the molecular formula C17H12BrClN3O2Y- and a molecular weight of 494.57 g/mol. Its IUPAC name is 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium.

Molecular Properties

Compound Name6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium
PubChem CID59061940
Molecular FormulaC17H12BrClN3O2Y-
Molecular Weight494.57 g/mol
Exact Mass492.89
IUPAC Name6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium
SMILESCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(Br)n[c-]c21.[Y]
InChIInChI=1S/C17H12BrClN3O2.Y/c1-22-9-13(16(23)12-6-15(18)20-8-14(12)22)17(24)21-7-10-2-4-11(19)5-3-10;/h2-6,9H,7H2,1H3,(H,21,24);/q-1;
InChIKeyRDBQEQQVKLEBQU-UHFFFAOYSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 22498719
N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 10095695
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-6-(thiomorpholin-4-ylmethyl)quinoline-3-carboxamide
CID 15516934
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
N-[(4-chlorophenyl)methyl]-8-fluoro-6-(3-hydroxyprop-1-enyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 513066
6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)
CID 20794326
N-[(4-chlorophenyl)methyl]-2-[[[(2R)-2-hydroxy-2-pyridin-2-ylethyl]amino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 142869701
[3-tert-butyl-3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxoquinolin-6-yl]-4,4-dimethylpentyl] dihydrogen phosphate
CID 70233812
N-[(4-chlorophenyl)methyl]-2-[[(3R)-3-hydroxy-3-phenylpropoxy]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 11283366
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
N-[(4-chlorophenyl)methyl]-2-[[3-(ethoxyamino)-2-oxopropoxy]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 91316836

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium?
The IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium (CID 59061940) is 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium.
What is the SMILES notation for 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium?
The canonical SMILES for 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium is Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(Br)n[c-]c21.[Y].
What is the InChIKey of 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium?
The InChIKey is RDBQEQQVKLEBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN3O2.Y/c1-22-9-13(16(23)12-6-15(18)20-8-14(12)22)17(24)21-7-10-2-4-11(19)5-3-10;/h2-6,9H,7H2,1H3,(H,21,24);/q-1;.
What are the key properties of 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium?
6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium has a molecular weight of 494.57 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium is sourced from PubChem (CID 59061940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).