N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide

C29H33N3O2 — CID 122448431

About N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide (PubChem CID 122448431) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide
• PubChem CID: 122448431
• Molecular Formula: C29H33N3O2
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.26
• IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C)cc2)cc2c1ccn2C(C)C
• InChI: InChI=1S/C29H33N3O2/c1-6-7-22-14-20(5)31-29(34)26(22)17-30-28(33)25-15-23(21-10-8-19(4)9-11-21)16-27-24(25)12-13-32(27)18(2)3/h8-16,18H,6-7,17H2,1-5H3,(H,30,33)(H,31,34)
• InChIKey: DQEMZUWOBTWOOS-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 66.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.60
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide?

The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide (CID 122448431) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide.

What is the SMILES notation for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide?

The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C)cc2)cc2c1ccn2C(C)C.

What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide?

The InChIKey is DQEMZUWOBTWOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-6-7-22-14-20(5)31-29(34)26(22)17-30-28(33)25-15-23(21-10-8-19(4)9-11-21)16-27-24(25)12-13-32(27)18(2)3/h8-16,18H,6-7,17H2,1-5H3,(H,30,33)(H,31,34).

What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide?

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 6.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 122448431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).