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

C24H27N3OS — CID 92605559

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

(3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92605559) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 92605559
• Molecular Formula: C24H27N3OS
• Molecular Weight: 405.57 g/mol
• Exact Mass: 405.19
• IUPAC Name: (3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1
• InChI: InChI=1S/C24H27N3OS/c1-26(2)23(28)24(11-13-27(18-24)16-22-5-3-4-12-25-22)15-19-6-8-20(9-7-19)21-10-14-29-17-21/h3-10,12,14,17H,11,13,15-16,18H2,1-2H3/t24-/m1/s1
• InChIKey: GBWRPYYAFQUIMU-XMMPIXPASA-N
• XLogP: 4.33
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.57
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92605559) is (3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

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

The canonical SMILES for (3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1.

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

The InChIKey is GBWRPYYAFQUIMU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N3OS/c1-26(2)23(28)24(11-13-27(18-24)16-22-5-3-4-12-25-22)15-19-6-8-20(9-7-19)21-10-14-29-17-21/h3-10,12,14,17H,11,13,15-16,18H2,1-2H3/t24-/m1/s1.

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

(3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 405.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92605559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).