N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C103H82Cl4N18O13 — CID 158417437

About N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide

N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 158417437) has the molecular formula C103H82Cl4N18O13 and a molecular weight of 1921.71 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 158417437
• Molecular Formula: C103H82Cl4N18O13
• Molecular Weight: 1921.71 g/mol
• Exact Mass: 1918.51
• IUPAC Name: N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)CNC(=O)c1cn(-c2cccc(-c3ccc(C(C)(C)O)[n+]([O-])c3)c2)c2ncccc2c1=O.CCOC(=O)c1cncc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1.O=C(Nc1c(Cl)cncc1Cl)c1cn(-c2cccc(-c3ccc[n+]([O-])c3)c2)c2ncccc2c1=O.O=C(Nc1c(Cl)cncc1Cl)c1cn(-c2cccc(-c3cccnc3)c2)c2ncccc2c1=O
• InChI: InChI=1S/C27H28N4O4.C26H24N4O4.C25H15Cl2N5O3.C25H15Cl2N5O2/c1-17(2)14-29-26(33)22-16-30(25-21(24(22)32)9-6-12-28-25)20-8-5-7-18(13-20)19-10-11-23(27(3,4)34)31(35)15-19;1-4-34-26(33)19-11-18(13-27-14-19)17-7-5-8-20(12-17)30-15-22(25(32)29-16(2)3)23(31)21-9-6-10-28-24(21)30;26-20-11-28-12-21(27)22(20)30-25(34)19-14-32(24-18(23(19)33)7-2-8-29-24)17-6-1-4-15(10-17)16-5-3-9-31(35)13-16;26-20-12-29-13-21(27)22(20)31-25(34)19-14-32(24-18(23(19)33)7-3-9-30-24)17-6-1-4-15(10-17)16-5-2-8-28-11-16/h5-13,15-17,34H,14H2,1-4H3,(H,29,33);5-16H,4H2,1-3H3,(H,29,32);1-14H,(H,28,30,34);1-14H,(H,29,31,34)
• InChIKey: HABNHPIOMDJKEV-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 407.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.71
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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 N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 158417437) is N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)CNC(=O)c1cn(-c2cccc(-c3ccc(C(C)(C)O)[n+]([O-])c3)c2)c2ncccc2c1=O.CCOC(=O)c1cncc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1.O=C(Nc1c(Cl)cncc1Cl)c1cn(-c2cccc(-c3ccc[n+]([O-])c3)c2)c2ncccc2c1=O.O=C(Nc1c(Cl)cncc1Cl)c1cn(-c2cccc(-c3cccnc3)c2)c2ncccc2c1=O.

What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is HABNHPIOMDJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4.C26H24N4O4.C25H15Cl2N5O3.C25H15Cl2N5O2/c1-17(2)14-29-26(33)22-16-30(25-21(24(22)32)9-6-12-28-25)20-8-5-7-18(13-20)19-10-11-23(27(3,4)34)31(35)15-19;1-4-34-26(33)19-11-18(13-27-14-19)17-7-5-8-20(12-17)30-15-22(25(32)29-16(2)3)23(31)21-9-6-10-28-24(21)30;26-20-11-28-12-21(27)22(20)30-25(34)19-14-32(24-18(23(19)33)7-2-8-29-24)17-6-1-4-15(10-17)16-5-3-9-31(35)13-16;26-20-12-29-13-21(27)22(20)31-25(34)19-14-32(24-18(23(19)33)7-3-9-30-24)17-6-1-4-15(10-17)16-5-2-8-28-11-16/h5-13,15-17,34H,14H2,1-4H3,(H,29,33);5-16H,4H2,1-3H3,(H,29,32);1-14H,(H,28,30,34);1-14H,(H,29,31,34).

What are the key properties of N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 1921.71 g/mol, XLogP of 17.10, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158417437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).