N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

C24H21N5O2 — CID 129208835

About N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 129208835) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
• PubChem CID: 129208835
• Molecular Formula: C24H21N5O2
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.17
• IUPAC Name: N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
• SMILES: CC(C)(C#N)CNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)c(O)c3c2)n1
• InChI: InChI=1S/C24H21N5O2/c1-24(2,13-25)14-27-23(31)19-10-6-9-18(28-19)16-11-17-21(30)20(29-22(17)26-12-16)15-7-4-3-5-8-15/h3-12,30H,14H2,1-2H3,(H,26,29)(H,27,31)
• InChIKey: JXIJETPUEIWMMG-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 114.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?

The IUPAC name of N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (CID 129208835) is N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?

The canonical SMILES for N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is CC(C)(C#N)CNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)c(O)c3c2)n1.

What is the InChIKey of N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?

The InChIKey is JXIJETPUEIWMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-24(2,13-25)14-27-23(31)19-10-6-9-18(28-19)16-11-17-21(30)20(29-22(17)26-12-16)15-7-4-3-5-8-15/h3-12,30H,14H2,1-2H3,(H,26,29)(H,27,31).

What are the key properties of N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?

N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 129208835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).