N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C46H38N9O6S3+ — CID 156652996

About N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 156652996) has the molecular formula C46H38N9O6S3+ and a molecular weight of 909.07 g/mol. Its IUPAC name is N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 156652996
• Molecular Formula: C46H38N9O6S3+
• Molecular Weight: 909.07 g/mol
• Exact Mass: 908.21
• IUPAC Name: N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
• SMILES: Cc1cncc2sc(NC(=O)C3CC3c3ccc(S(=O)(=O)Nc4ccc(-[n+]5ccc6nc(NC(=O)C7CC7c7ccc(S(=O)(=O)Nc8ccccn8)cc7)ccc6c5)cn4)cc3)cc12
• InChI: InChI=1S/C46H37N9O6S3/c1-27-23-47-25-40-34(27)22-44(62-40)52-46(57)38-21-36(38)29-7-13-33(14-8-29)64(60,61)54-42-16-10-31(24-49-42)55-19-17-39-30(26-55)9-15-43(50-39)51-45(56)37-20-35(37)28-5-11-32(12-6-28)63(58,59)53-41-4-2-3-18-48-41/h2-19,22-26,35-38H,20-21H2,1H3,(H3,47,48,49,52,53,54,57)/p+1
• InChIKey: HNVZOQWQMSYJLZ-UHFFFAOYSA-O
• XLogP: 7.31
• TPSA: 205.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.07
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 156652996) is N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is Cc1cncc2sc(NC(=O)C3CC3c3ccc(S(=O)(=O)Nc4ccc(-[n+]5ccc6nc(NC(=O)C7CC7c7ccc(S(=O)(=O)Nc8ccccn8)cc7)ccc6c5)cn4)cc3)cc12.

What is the InChIKey of N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is HNVZOQWQMSYJLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C46H37N9O6S3/c1-27-23-47-25-40-34(27)22-44(62-40)52-46(57)38-21-36(38)29-7-13-33(14-8-29)64(60,61)54-42-16-10-31(24-49-42)55-19-17-39-30(26-55)9-15-43(50-39)51-45(56)37-20-35(37)28-5-11-32(12-6-28)63(58,59)53-41-4-2-3-18-48-41/h2-19,22-26,35-38H,20-21H2,1H3,(H3,47,48,49,52,53,54,57)/p+1.

What are the key properties of N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?

N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 909.07 g/mol, XLogP of 7.31, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[6-[[4-[2-[(4-methylthieno[2,3-c]pyridin-2-yl)carbamoyl]cyclopropyl]phenyl]sulfonylamino]-3-pyridinyl]-1,6-naphthyridin-6-ium-2-yl]-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 156652996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).