N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

C25H33N5O2 — CID 16964363

About N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16964363) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
• PubChem CID: 16964363
• Molecular Formula: C25H33N5O2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.26
• IUPAC Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
• SMILES: CC(C)CN(CC(C)C)C(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21
• InChI: InChI=1S/C25H33N5O2/c1-18(2)15-29(16-19(3)4)24(31)17-30-22-10-6-5-9-21(22)28-23(30)11-13-27-25(32)20-8-7-12-26-14-20/h5-10,12,14,18-19H,11,13,15-17H2,1-4H3,(H,27,32)
• InChIKey: QCJYEPKHPHGMQQ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?

The IUPAC name of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16964363) is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is CC(C)CN(CC(C)C)C(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21.

What is the InChIKey of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?

The InChIKey is QCJYEPKHPHGMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-18(2)15-29(16-19(3)4)24(31)17-30-22-10-6-5-9-21(22)28-23(30)11-13-27-25(32)20-8-7-12-26-14-20/h5-10,12,14,18-19H,11,13,15-17H2,1-4H3,(H,27,32).

What are the key properties of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).