1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one

C42H37Br2N7O6 — CID 159076502

About 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one

1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one (PubChem CID 159076502) has the molecular formula C42H37Br2N7O6 and a molecular weight of 895.61 g/mol. Its IUPAC name is 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one
• PubChem CID: 159076502
• Molecular Formula: C42H37Br2N7O6
• Molecular Weight: 895.61 g/mol
• Exact Mass: 893.12
• IUPAC Name: 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one
• SMILES: CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2nc(C)ccc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3nc(C)ccc3c2=O)cc1C
• InChI: InChI=1S/C24H20BrN3O3.C18H17BrN4O3/c1-14-11-16(8-10-20(14)31-3)22(29)19-13-28(12-17-5-4-6-21(25)27-17)24-18(23(19)30)9-7-15(2)26-24;1-11-7-8-13-16(24)14(18(25)22(2)26-3)10-23(17(13)20-11)9-12-5-4-6-15(19)21-12/h4-11,13H,12H2,1-3H3;4-8,10H,9H2,1-3H3
• InChIKey: KAHWAEWNJVIUPH-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 151.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	895.61
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one?

The IUPAC name of 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one (CID 159076502) is 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one.

What is the SMILES notation for 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one?

The canonical SMILES for 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one is CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2nc(C)ccc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(Br)n3)c3nc(C)ccc3c2=O)cc1C.

What is the InChIKey of 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one?

The InChIKey is KAHWAEWNJVIUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3.C18H17BrN4O3/c1-14-11-16(8-10-20(14)31-3)22(29)19-13-28(12-17-5-4-6-21(25)27-17)24-18(23(19)30)9-7-15(2)26-24;1-11-7-8-13-16(24)14(18(25)22(2)26-3)10-23(17(13)20-11)9-12-5-4-6-15(19)21-12/h4-11,13H,12H2,1-3H3;4-8,10H,9H2,1-3H3.

What are the key properties of 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one?

1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 895.61 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[(6-bromo-2-pyridinyl)methyl]-3-(4-methoxy-3-methylbenzoyl)-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 159076502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).