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

C104H96N16O14 — CID 158720581

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

N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 158720581) has the molecular formula C104H96N16O14 and a molecular weight of 1794.01 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 158720581
• Molecular Formula: C104H96N16O14
• Molecular Weight: 1794.01 g/mol
• Exact Mass: 1792.73
• IUPAC Name: N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)(O)c1cc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cc[n+]1[O-].CC(C)(O)c1cc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)ccn1.CC(C)(O)c1cc[n+]([O-])c(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)c1.CC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)nc1
• InChI: InChI=1S/2C26H24N4O4.2C26H24N4O3/c1-26(2,33)17-10-12-30(34)22(14-17)16-5-3-6-19(13-16)29-15-21(25(32)28-18-8-9-18)23(31)20-7-4-11-27-24(20)29;1-26(2,33)22-14-17(10-12-30(22)34)16-5-3-6-19(13-16)29-15-21(25(32)28-18-8-9-18)23(31)20-7-4-11-27-24(20)29;1-26(2,33)17-8-11-22(28-14-17)16-5-3-6-19(13-16)30-15-21(25(32)29-18-9-10-18)23(31)20-7-4-12-27-24(20)30;1-26(2,33)22-14-17(10-12-27-22)16-5-3-6-19(13-16)30-15-21(25(32)29-18-8-9-18)23(31)20-7-4-11-28-24(20)30/h2*3-7,10-15,18,33H,8-9H2,1-2H3,(H,28,32);3-8,11-15,18,33H,9-10H2,1-2H3,(H,29,32);3-7,10-15,18,33H,8-9H2,1-2H3,(H,29,32)
• InChIKey: IJWDGGTYWZABMF-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 416.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1794.01
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

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

The IUPAC name of N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 158720581) is N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1cc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cc[n+]1[O-].CC(C)(O)c1cc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)ccn1.CC(C)(O)c1cc[n+]([O-])c(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)c1.CC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)nc1.

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

The InChIKey is IJWDGGTYWZABMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24N4O4.2C26H24N4O3/c1-26(2,33)17-10-12-30(34)22(14-17)16-5-3-6-19(13-16)29-15-21(25(32)28-18-8-9-18)23(31)20-7-4-11-27-24(20)29;1-26(2,33)22-14-17(10-12-30(22)34)16-5-3-6-19(13-16)29-15-21(25(32)28-18-8-9-18)23(31)20-7-4-11-27-24(20)29;1-26(2,33)17-8-11-22(28-14-17)16-5-3-6-19(13-16)30-15-21(25(32)29-18-9-10-18)23(31)20-7-4-12-27-24(20)30;1-26(2,33)22-14-17(10-12-27-22)16-5-3-6-19(13-16)30-15-21(25(32)29-18-8-9-18)23(31)20-7-4-11-28-24(20)30/h2*3-7,10-15,18,33H,8-9H2,1-2H3,(H,28,32);3-8,11-15,18,33H,9-10H2,1-2H3,(H,29,32);3-7,10-15,18,33H,8-9H2,1-2H3,(H,29,32).

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

N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 1794.01 g/mol, XLogP of 12.75, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-4-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[4-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158720581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).