N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide

C94H77N17O12S — CID 159241095

About N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 159241095) has the molecular formula C94H77N17O12S and a molecular weight of 1668.82 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 159241095
• Molecular Formula: C94H77N17O12S
• Molecular Weight: 1668.82 g/mol
• Exact Mass: 1667.57
• IUPAC Name: N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3cc[n+]([O-])cc3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3ccncc3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3cnc[n+]([O-])c3)c2)c2ncccc2c1=O
• InChI: InChI=1S/C26H24N4O4S.C23H18N4O3.C23H18N4O2.C22H17N5O3/c1-16(2)35(33,34)23-11-8-18(14-28-23)17-5-3-6-20(13-17)30-15-22(26(32)29-19-9-10-19)24(31)21-7-4-12-27-25(21)30;28-21-19-5-2-10-24-22(19)27(14-20(21)23(29)25-17-6-7-17)18-4-1-3-16(13-18)15-8-11-26(30)12-9-15;28-21-19-5-2-10-25-22(19)27(14-20(21)23(29)26-17-6-7-17)18-4-1-3-16(13-18)15-8-11-24-12-9-15;28-20-18-5-2-8-24-21(18)27(12-19(20)22(29)25-16-6-7-16)17-4-1-3-14(9-17)15-10-23-13-26(30)11-15/h3-8,11-16,19H,9-10H2,1-2H3,(H,29,32);1-5,8-14,17H,6-7H2,(H,25,29);1-5,8-14,17H,6-7H2,(H,26,29);1-5,8-13,16H,6-7H2,(H,25,29)
• InChIKey: KUCLPRHXHHUAJE-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 382.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1668.82
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide (CID 159241095) is N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.O=C(NC1CC1)c1cn(-c2cccc(-c3cc[n+]([O-])cc3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3ccncc3)c2)c2ncccc2c1=O.O=C(NC1CC1)c1cn(-c2cccc(-c3cnc[n+]([O-])c3)c2)c2ncccc2c1=O.

What is the InChIKey of N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is KUCLPRHXHHUAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S.C23H18N4O3.C23H18N4O2.C22H17N5O3/c1-16(2)35(33,34)23-11-8-18(14-28-23)17-5-3-6-20(13-17)30-15-22(26(32)29-19-9-10-19)24(31)21-7-4-12-27-25(21)30;28-21-19-5-2-10-24-22(19)27(14-20(21)23(29)25-17-6-7-17)18-4-1-3-16(13-18)15-8-11-26(30)12-9-15;28-21-19-5-2-10-25-22(19)27(14-20(21)23(29)26-17-6-7-17)18-4-1-3-16(13-18)15-8-11-24-12-9-15;28-20-18-5-2-8-24-21(18)27(12-19(20)22(29)25-16-6-7-16)17-4-1-3-14(9-17)15-10-23-13-26(30)11-15/h3-8,11-16,19H,9-10H2,1-2H3,(H,29,32);1-5,8-14,17H,6-7H2,(H,25,29);1-5,8-14,17H,6-7H2,(H,26,29);1-5,8-13,16H,6-7H2,(H,25,29).

What are the key properties of N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide?

N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 1668.82 g/mol, XLogP of 11.41, 18 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(1-oxidopyrimidin-1-ium-5-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 159241095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).