(3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

C25H29N3OS — CID 92580035

About (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92580035) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 92580035
• Molecular Formula: C25H29N3OS
• Molecular Weight: 419.59 g/mol
• Exact Mass: 419.20
• IUPAC Name: (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)C1
• InChI: InChI=1S/C25H29N3OS/c1-19(2)27-24(29)25(11-14-28(18-25)17-20-9-12-26-13-10-20)16-21-6-3-4-7-22(21)23-8-5-15-30-23/h3-10,12-13,15,19H,11,14,16-18H2,1-2H3,(H,27,29)/t25-/m0/s1
• InChIKey: YCPRUTBGJVWZLL-VWLOTQADSA-N
• XLogP: 4.77
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.59
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92580035) is (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)C1.

What is the InChIKey of (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is YCPRUTBGJVWZLL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-19(2)27-24(29)25(11-14-28(18-25)17-20-9-12-26-13-10-20)16-21-6-3-4-7-22(21)23-8-5-15-30-23/h3-10,12-13,15,19H,11,14,16-18H2,1-2H3,(H,27,29)/t25-/m0/s1.

What are the key properties of (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?

(3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92580035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).