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

C21H19N3O3S — CID 56807710

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

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56807710) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 56807710
• Molecular Formula: C21H19N3O3S
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.11
• IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1c(NC(=O)c2ccc[nH]c2=O)cccc1C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C21H19N3O3S/c1-13-15(21(27)24-10-7-18-14(12-24)8-11-28-18)4-2-6-17(13)23-20(26)16-5-3-9-22-19(16)25/h2-6,8-9,11H,7,10,12H2,1H3,(H,22,25)(H,23,26)
• InChIKey: QVSBJDWNLQWMNJ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 82.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56807710) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide.

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

The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1c(NC(=O)c2ccc[nH]c2=O)cccc1C(=O)N1CCc2sccc2C1.

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

The InChIKey is QVSBJDWNLQWMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-15(21(27)24-10-7-18-14(12-24)8-11-28-18)4-2-6-17(13)23-20(26)16-5-3-9-22-19(16)25/h2-6,8-9,11H,7,10,12H2,1H3,(H,22,25)(H,23,26).

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

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56807710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).