N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

C24H31N5O2 — CID 16964522

About N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide

N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (PubChem CID 16964522) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
• PubChem CID: 16964522
• Molecular Formula: C24H31N5O2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
• SMILES: CC(C)N(C(=O)Cn1c(CCCNC(=O)c2cccnc2)nc2ccccc21)C(C)C
• InChI: InChI=1S/C24H31N5O2/c1-17(2)29(18(3)4)23(30)16-28-21-11-6-5-10-20(21)27-22(28)12-8-14-26-24(31)19-9-7-13-25-15-19/h5-7,9-11,13,15,17-18H,8,12,14,16H2,1-4H3,(H,26,31)
• InChIKey: IWZBITWUTBNQQV-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	3.44
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-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide?

The IUPAC name of N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide (CID 16964522) is N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is CC(C)N(C(=O)Cn1c(CCCNC(=O)c2cccnc2)nc2ccccc21)C(C)C.

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

The InChIKey is IWZBITWUTBNQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-17(2)29(18(3)4)23(30)16-28-21-11-6-5-10-20(21)27-22(28)12-8-14-26-24(31)19-9-7-13-25-15-19/h5-7,9-11,13,15,17-18H,8,12,14,16H2,1-4H3,(H,26,31).

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

N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).