N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C27H27N3O — CID 43073082

About N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 43073082) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
• PubChem CID: 43073082
• Molecular Formula: C27H27N3O
• Molecular Weight: 409.53 g/mol
• Exact Mass: 409.22
• IUPAC Name: N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)c2ccccc2)c(C)n1Cc1ccccn1
• InChI: InChI=1S/C27H27N3O/c1-20-17-25(21(2)30(20)19-24-15-9-10-16-28-24)27(31)29-26(23-13-7-4-8-14-23)18-22-11-5-3-6-12-22/h3-17,26H,18-19H2,1-2H3,(H,29,31)
• InChIKey: ZHACFSZTZMDJGY-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.53
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?

The IUPAC name of N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 43073082) is N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

What is the SMILES notation for N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?

The canonical SMILES for N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)c2ccccc2)c(C)n1Cc1ccccn1.

What is the InChIKey of N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?

The InChIKey is ZHACFSZTZMDJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-20-17-25(21(2)30(20)19-24-15-9-10-16-28-24)27(31)29-26(23-13-7-4-8-14-23)18-22-11-5-3-6-12-22/h3-17,26H,18-19H2,1-2H3,(H,29,31).

What are the key properties of N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?

N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 43073082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).