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

C29H21N7O2 — CID 166779716

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

2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 166779716) has the molecular formula C29H21N7O2 and a molecular weight of 499.53 g/mol. Its IUPAC name is 2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide
• PubChem CID: 166779716
• Molecular Formula: C29H21N7O2
• Molecular Weight: 499.53 g/mol
• Exact Mass: 499.18
• IUPAC Name: 2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(Nc2ccnc3cnc(-c4cn[nH]c4)cc23)cc1)c1cccn(-c2ccccc2)c1=O
• InChI: InChI=1S/C29H21N7O2/c37-28(23-7-4-14-36(29(23)38)22-5-2-1-3-6-22)35-21-10-8-20(9-11-21)34-25-12-13-30-27-18-31-26(15-24(25)27)19-16-32-33-17-19/h1-18H,(H,30,34)(H,32,33)(H,35,37)
• InChIKey: CMXPRSGUFGHELK-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 117.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.53
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide (CID 166779716) is 2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Nc2ccnc3cnc(-c4cn[nH]c4)cc23)cc1)c1cccn(-c2ccccc2)c1=O.

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

The InChIKey is CMXPRSGUFGHELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N7O2/c37-28(23-7-4-14-36(29(23)38)22-5-2-1-3-6-22)35-21-10-8-20(9-11-21)34-25-12-13-30-27-18-31-26(15-24(25)27)19-16-32-33-17-19/h1-18H,(H,30,34)(H,32,33)(H,35,37).

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

2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 499.53 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 166779716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).