2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide

C30H27N7O2 — CID 156871709

About 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide

2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 156871709) has the molecular formula C30H27N7O2 and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide
• PubChem CID: 156871709
• Molecular Formula: C30H27N7O2
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.22
• IUPAC Name: 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(Nc2ccnc3cnc(N4CCNCC4)cc23)cc1)c1cccn(-c2ccccc2)c1=O
• InChI: InChI=1S/C30H27N7O2/c38-29(24-7-4-16-37(30(24)39)23-5-2-1-3-6-23)35-22-10-8-21(9-11-22)34-26-12-13-32-27-20-33-28(19-25(26)27)36-17-14-31-15-18-36/h1-13,16,19-20,31H,14-15,17-18H2,(H,32,34)(H,35,38)
• InChIKey: MSWOPLHODNJVHR-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 104.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide (CID 156871709) is 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Nc2ccnc3cnc(N4CCNCC4)cc23)cc1)c1cccn(-c2ccccc2)c1=O.

What is the InChIKey of 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The InChIKey is MSWOPLHODNJVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7O2/c38-29(24-7-4-16-37(30(24)39)23-5-2-1-3-6-23)35-22-10-8-21(9-11-22)34-26-12-13-32-27-20-33-28(19-25(26)27)36-17-14-31-15-18-36/h1-13,16,19-20,31H,14-15,17-18H2,(H,32,34)(H,35,38).

What are the key properties of 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide?

2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 156871709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).