1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C25H27N3O3S — CID 110231592

About 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231592) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 110231592
• Molecular Formula: C25H27N3O3S
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.18
• IUPAC Name: 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: COc1ccc(C(=O)N2CCC(Cc3ccc(-c4ccsc4)cc3)(C(=O)N(C)C)C2)cn1
• InChI: InChI=1S/C25H27N3O3S/c1-27(2)24(30)25(14-18-4-6-19(7-5-18)21-10-13-32-16-21)11-12-28(17-25)23(29)20-8-9-22(31-3)26-15-20/h4-10,13,15-16H,11-12,14,17H2,1-3H3
• InChIKey: OSQBSBCJVVROMS-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 62.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231592) is 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is COc1ccc(C(=O)N2CCC(Cc3ccc(-c4ccsc4)cc3)(C(=O)N(C)C)C2)cn1.

What is the InChIKey of 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is OSQBSBCJVVROMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-27(2)24(30)25(14-18-4-6-19(7-5-18)21-10-13-32-16-21)11-12-28(17-25)23(29)20-8-9-22(31-3)26-15-20/h4-10,13,15-16H,11-12,14,17H2,1-3H3.

What are the key properties of 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methoxypyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).