N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C30H28N4O4 — CID 10207637

About N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-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 10207637) has the molecular formula C30H28N4O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 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: N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 10207637
• Molecular Formula: C30H28N4O4
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.21
• IUPAC Name: N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(C(O)(C4CC4)C4CC4)[n+]([O-])c3)c2)c2ncccc2c1=O
• InChI: InChI=1S/C30H28N4O4/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/h1-6,13-17,20-22,37H,7-12H2,(H,32,36)
• InChIKey: CUMKHVRSTWYUJL-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 111.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10207637) is 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 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 N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(C(O)(C4CC4)C4CC4)[n+]([O-])c3)c2)c2ncccc2c1=O.

What is the InChIKey of 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 CUMKHVRSTWYUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O4/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/h1-6,13-17,20-22,37H,7-12H2,(H,32,36).

What are the key properties of N-cyclopropyl-1-[3-[6-[dicyclopropyl(hydroxy)methyl]-1-oxidopyridin-1-ium-3-yl]phenyl]-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 508.58 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 10207637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).