5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide

C23H29N5O3 — CID 45212267

About 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide

5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45212267) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
• PubChem CID: 45212267
• Molecular Formula: C23H29N5O3
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.23
• IUPAC Name: 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
• SMILES: CNC(=O)c1cn(CCC(C)C)cc(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)c1=O
• InChI: InChI=1S/C23H29N5O3/c1-13(2)8-9-28-11-16(22(30)24-5)20(29)17(12-28)23(31)25-15(4)21-26-18-7-6-14(3)10-19(18)27-21/h6-7,10-13,15H,8-9H2,1-5H3,(H,24,30)(H,25,31)(H,26,27)
• InChIKey: ANDYEYJFXYXFNB-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 108.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?

The IUPAC name of 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide (CID 45212267) is 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide.

What is the SMILES notation for 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?

The canonical SMILES for 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cn(CCC(C)C)cc(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)c1=O.

What is the InChIKey of 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?

The InChIKey is ANDYEYJFXYXFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-13(2)8-9-28-11-16(22(30)24-5)20(29)17(12-28)23(31)25-15(4)21-26-18-7-6-14(3)10-19(18)27-21/h6-7,10-13,15H,8-9H2,1-5H3,(H,24,30)(H,25,31)(H,26,27).

What are the key properties of 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?

5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-methyl-3-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45212267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).