N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

C24H31N5O3 — CID 172673603

About N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 172673603) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
• PubChem CID: 172673603
• Molecular Formula: C24H31N5O3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.24
• IUPAC Name: N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
• SMILES: CCn1c(=O)n(CC)c2cc(NC(=O)c3c(C)ccn(C4CCNCC4)c3=O)c(C)cc21
• InChI: InChI=1S/C24H31N5O3/c1-5-27-19-13-16(4)18(14-20(19)28(6-2)24(27)32)26-22(30)21-15(3)9-12-29(23(21)31)17-7-10-25-11-8-17/h9,12-14,17,25H,5-8,10-11H2,1-4H3,(H,26,30)
• InChIKey: AQVDDXZVKDPJOV-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 90.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?

The IUPAC name of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (CID 172673603) is N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

What is the SMILES notation for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?

The canonical SMILES for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is CCn1c(=O)n(CC)c2cc(NC(=O)c3c(C)ccn(C4CCNCC4)c3=O)c(C)cc21.

What is the InChIKey of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?

The InChIKey is AQVDDXZVKDPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-5-27-19-13-16(4)18(14-20(19)28(6-2)24(27)32)26-22(30)21-15(3)9-12-29(23(21)31)17-7-10-25-11-8-17/h9,12-14,17,25H,5-8,10-11H2,1-4H3,(H,26,30).

What are the key properties of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?

N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 172673603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).