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

C81H71N13O12S — CID 159091386

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

N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 159091386) has the molecular formula C81H71N13O12S and a molecular weight of 1450.60 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 159091386
• Molecular Formula: C81H71N13O12S
• Molecular Weight: 1450.60 g/mol
• Exact Mass: 1449.51
• IUPAC Name: N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)[n+]([O-])c1.CC(C)(O)c1ccc(-c2cncc(-c3cccc(-n4cc(C(=O)NC5CC5)c(=O)c5cccnc54)c3)c2)cn1.CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)c[n+]1[O-]
• InChI: InChI=1S/C31H27N5O3.C26H24N4O4.C24H20N4O5S/c1-31(2,39)27-11-8-20(17-34-27)22-13-21(15-32-16-22)19-5-3-6-24(14-19)36-18-26(30(38)35-23-9-10-23)28(37)25-7-4-12-33-29(25)36;1-26(2,33)17-8-11-22(30(34)14-17)16-5-3-6-19(13-16)29-15-21(25(32)28-18-9-10-18)23(31)20-7-4-12-27-24(20)29;1-34(32,33)21-10-7-16(13-28(21)31)15-4-2-5-18(12-15)27-14-20(24(30)26-17-8-9-17)22(29)19-6-3-11-25-23(19)27/h3-8,11-18,23,39H,9-10H2,1-2H3,(H,35,38);3-8,11-15,18,33H,9-10H2,1-2H3,(H,28,32);2-7,10-14,17H,8-9H2,1H3,(H,26,30)
• InChIKey: KCCIHQYUJZFCFS-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 346.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.60
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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

The IUPAC name of N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 159091386) is N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)[n+]([O-])c1.CC(C)(O)c1ccc(-c2cncc(-c3cccc(-n4cc(C(=O)NC5CC5)c(=O)c5cccnc54)c3)c2)cn1.CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)c[n+]1[O-].

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

The InChIKey is KCCIHQYUJZFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O3.C26H24N4O4.C24H20N4O5S/c1-31(2,39)27-11-8-20(17-34-27)22-13-21(15-32-16-22)19-5-3-6-24(14-19)36-18-26(30(38)35-23-9-10-23)28(37)25-7-4-12-33-29(25)36;1-26(2,33)17-8-11-22(30(34)14-17)16-5-3-6-19(13-16)29-15-21(25(32)28-18-9-10-18)23(31)20-7-4-12-27-24(20)29;1-34(32,33)21-10-7-16(13-28(21)31)15-4-2-5-18(12-15)27-14-20(24(30)26-17-8-9-17)22(29)19-6-3-11-25-23(19)27/h3-8,11-18,23,39H,9-10H2,1-2H3,(H,35,38);3-8,11-15,18,33H,9-10H2,1-2H3,(H,28,32);2-7,10-14,17H,8-9H2,1H3,(H,26,30).

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

N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 1450.60 g/mol, XLogP of 9.42, 16 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[3-[5-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-2-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 159091386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).