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

C28H32N4O2 — CID 67468458

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide (PubChem CID 67468458) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
• PubChem CID: 67468458
• Molecular Formula: C28H32N4O2
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.25
• IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C)nc2)cc2c1ccn2C(C)C
• InChI: InChI=1S/C28H32N4O2/c1-6-7-20-12-19(5)31-28(34)25(20)16-30-27(33)24-13-22(21-9-8-18(4)29-15-21)14-26-23(24)10-11-32(26)17(2)3/h8-15,17H,6-7,16H2,1-5H3,(H,30,33)(H,31,34)
• InChIKey: SZLJSRSLDJKGOR-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 79.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide (CID 67468458) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-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-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide?

The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C)nc2)cc2c1ccn2C(C)C.

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

The InChIKey is SZLJSRSLDJKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-6-7-20-12-19(5)31-28(34)25(20)16-30-27(33)24-13-22(21-9-8-18(4)29-15-21)14-26-23(24)10-11-32(26)17(2)3/h8-15,17H,6-7,16H2,1-5H3,(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-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide?

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 67468458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).