N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide

C21H20ClN3OS — CID 55713707

About N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide

N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 55713707) has the molecular formula C21H20ClN3OS and a molecular weight of 397.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide
• PubChem CID: 55713707
• Molecular Formula: C21H20ClN3OS
• Molecular Weight: 397.93 g/mol
• Exact Mass: 397.10
• IUPAC Name: N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide
• SMILES: O=C(NCC(c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccncc1
• InChI: InChI=1S/C21H20ClN3OS/c22-18-3-1-15(2-4-18)19(13-24-21(26)16-5-9-23-10-6-16)25-11-7-20-17(14-25)8-12-27-20/h1-6,8-10,12,19H,7,11,13-14H2,(H,24,26)
• InChIKey: KUEQEVLNEHKLLV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.93
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide?

The IUPAC name of N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide (CID 55713707) is N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide?

The canonical SMILES for N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide is O=C(NCC(c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccncc1.

What is the InChIKey of N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide?

The InChIKey is KUEQEVLNEHKLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3OS/c22-18-3-1-15(2-4-18)19(13-24-21(26)16-5-9-23-10-6-16)25-11-7-20-17(14-25)8-12-27-20/h1-6,8-10,12,19H,7,11,13-14H2,(H,24,26).

What are the key properties of N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide?

N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 397.93 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 55713707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).