2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide

C26H24N4O2 — CID 71715864

About 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide

2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide (PubChem CID 71715864) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide.

Molecular Properties

• Compound Name: 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide
• PubChem CID: 71715864
• Molecular Formula: C26H24N4O2
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.19
• IUPAC Name: 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2c(C#N)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1
• InChI: InChI=1S/C26H24N4O2/c1-16-13-17(2)29-25(31)21(16)15-28-26(32)24-20-11-7-8-12-22(20)30(23(24)14-27)18(3)19-9-5-4-6-10-19/h4-13,18H,15H2,1-3H3,(H,28,32)(H,29,31)
• InChIKey: ULLISAVWLKWVTG-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 90.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide?

The IUPAC name of 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide (CID 71715864) is 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide.

What is the SMILES notation for 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide?

The canonical SMILES for 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2c(C#N)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1.

What is the InChIKey of 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide?

The InChIKey is ULLISAVWLKWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-16-13-17(2)29-25(31)21(16)15-28-26(32)24-20-11-7-8-12-22(20)30(23(24)14-27)18(3)19-9-5-4-6-10-19/h4-13,18H,15H2,1-3H3,(H,28,32)(H,29,31).

What are the key properties of 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide?

2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide is sourced from PubChem (CID 71715864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).