N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide

C25H26N4O2S — CID 166210445

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 166210445) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide
• PubChem CID: 166210445
• Molecular Formula: C25H26N4O2S
• Molecular Weight: 446.58 g/mol
• Exact Mass: 446.18
• IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide
• SMILES: Cc1c(NC(=O)c2ccncc2N2CCCC2)cccc1C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C25H26N4O2S/c1-17-19(25(31)29-13-8-23-18(16-29)9-14-32-23)5-4-6-21(17)27-24(30)20-7-10-26-15-22(20)28-11-2-3-12-28/h4-7,9-10,14-15H,2-3,8,11-13,16H2,1H3,(H,27,30)
• InChIKey: ODOBHRSFNSZAGW-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.58
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide?

The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide (CID 166210445) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide.

What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide?

The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide is Cc1c(NC(=O)c2ccncc2N2CCCC2)cccc1C(=O)N1CCc2sccc2C1.

What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide?

The InChIKey is ODOBHRSFNSZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-17-19(25(31)29-13-8-23-18(16-29)9-14-32-23)5-4-6-21(17)27-24(30)20-7-10-26-15-22(20)28-11-2-3-12-28/h4-7,9-10,14-15H,2-3,8,11-13,16H2,1H3,(H,27,30).

What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide?

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 166210445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).