(3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C25H27N3O2S — CID 92605333

About (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92605333) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 92605333
• Molecular Formula: C25H27N3O2S
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.18
• IUPAC Name: (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2cccnc2)C1
• InChI: InChI=1S/C25H27N3O2S/c1-27(2)24(30)25(15-19-5-7-21(8-6-19)22-9-13-31-17-22)10-12-28(18-25)23(29)14-20-4-3-11-26-16-20/h3-9,11,13,16-17H,10,12,14-15,18H2,1-2H3/t25-/m0/s1
• InChIKey: PQZGYAGVTJVFOC-VWLOTQADSA-N
• XLogP: 3.90
• TPSA: 53.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92605333) is (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

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

The canonical SMILES for (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2cccnc2)C1.

What is the InChIKey of (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is PQZGYAGVTJVFOC-VWLOTQADSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-27(2)24(30)25(15-19-5-7-21(8-6-19)22-9-13-31-17-22)10-12-28(18-25)23(29)14-20-4-3-11-26-16-20/h3-9,11,13,16-17H,10,12,14-15,18H2,1-2H3/t25-/m0/s1.

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

(3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92605333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).