1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C79H68Br2N12O10 — CID 160554073

About 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 160554073) has the molecular formula C79H68Br2N12O10 and a molecular weight of 1505.29 g/mol. Its IUPAC name is 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 160554073
• Molecular Formula: C79H68Br2N12O10
• Molecular Weight: 1505.29 g/mol
• Exact Mass: 1502.35
• IUPAC Name: 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)(O)c1ccc(-c2cc(Br)cc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3cc(Br)c[n+]([O-])c3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(C(O)(C4CC4)C4CC4)[n+]([O-])c3)c2)c2ncccc2c1=O
• InChI: InChI=1S/C30H28N4O4.C26H23BrN4O3.C23H17BrN4O3/c35-27-24-5-2-14-31-28(24)33(17-25(27)29(36)32-22-11-12-22)23-4-1-3-18(15-23)19-6-13-26(34(38)16-19)30(37,20-7-8-20)21-9-10-21;1-26(2,34)22-8-5-15(13-29-22)16-10-17(27)12-19(11-16)31-14-21(25(33)30-18-6-7-18)23(32)20-4-3-9-28-24(20)31;24-16-9-15(11-27(31)12-16)14-3-1-4-18(10-14)28-13-20(23(30)26-17-6-7-17)21(29)19-5-2-8-25-22(19)28/h1-6,13-17,20-22,37H,7-12H2,(H,32,36);3-5,8-14,18,34H,6-7H2,1-2H3,(H,30,33);1-5,8-13,17H,6-7H2,(H,26,30)
• InChIKey: QYLKCZSKNAJFHF-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 299.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.29
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 160554073) is 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1ccc(-c2cc(Br)cc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3cc(Br)c[n+]([O-])c3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(C(O)(C4CC4)C4CC4)[n+]([O-])c3)c2)c2ncccc2c1=O.

What is the InChIKey of 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is QYLKCZSKNAJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O4.C26H23BrN4O3.C23H17BrN4O3/c35-27-24-5-2-14-31-28(24)33(17-25(27)29(36)32-22-11-12-22)23-4-1-3-18(15-23)19-6-13-26(34(38)16-19)30(37,20-7-8-20)21-9-10-21;1-26(2,34)22-8-5-15(13-29-22)16-10-17(27)12-19(11-16)31-14-21(25(33)30-18-6-7-18)23(32)20-4-3-9-28-24(20)31;24-16-9-15(11-27(31)12-16)14-3-1-4-18(10-14)28-13-20(23(30)26-17-6-7-17)21(29)19-5-2-8-25-22(19)28/h1-6,13-17,20-22,37H,7-12H2,(H,32,36);3-5,8-14,18,34H,6-7H2,1-2H3,(H,30,33);1-5,8-13,17H,6-7H2,(H,26,30).

What are the key properties of 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 1505.29 g/mol, XLogP of 11.26, 16 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;1-[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 160554073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).