N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

C24H29N5O2 — CID 16964538

About N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (PubChem CID 16964538) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
• PubChem CID: 16964538
• Molecular Formula: C24H29N5O2
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.23
• IUPAC Name: N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
• SMILES: CC1CCN(C(=O)Cn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)CC1
• InChI: InChI=1S/C24H29N5O2/c1-18-10-14-28(15-11-18)23(30)17-29-21-8-3-2-7-20(21)27-22(29)9-5-13-26-24(31)19-6-4-12-25-16-19/h2-4,6-8,12,16,18H,5,9-11,13-15,17H2,1H3,(H,26,31)
• InChIKey: ZZOHQVBFPYZETB-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?

The IUPAC name of N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (CID 16964538) is N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is CC1CCN(C(=O)Cn2c(CCCNC(=O)c3cccnc3)nc3ccccc32)CC1.

What is the InChIKey of N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?

The InChIKey is ZZOHQVBFPYZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-10-14-28(15-11-18)23(30)17-29-21-8-3-2-7-20(21)27-22(29)9-5-13-26-24(31)19-6-4-12-25-16-19/h2-4,6-8,12,16,18H,5,9-11,13-15,17H2,1H3,(H,26,31).

What are the key properties of N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?

N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).