3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C24H26N6O3S — CID 143626153

About 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 143626153) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
• PubChem CID: 143626153
• Molecular Formula: C24H26N6O3S
• Molecular Weight: 478.58 g/mol
• Exact Mass: 478.18
• IUPAC Name: 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
• SMILES: COc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCc1cn(C)cn1)C2
• InChI: InChI=1S/C24H26N6O3S/c1-29-13-17(27-15-29)12-26-24(32)30-10-9-18-19(11-25)23(34-21(18)14-30)28-22(31)8-7-16-5-3-4-6-20(16)33-2/h3-6,13,15H,7-10,12,14H2,1-2H3,(H,26,32)(H,28,31)
• InChIKey: QOSIRFDPPBJVAT-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 112.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.58
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

The IUPAC name of 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 143626153) is 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

What is the SMILES notation for 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

The canonical SMILES for 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is COc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCc1cn(C)cn1)C2.

What is the InChIKey of 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

The InChIKey is QOSIRFDPPBJVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-29-13-17(27-15-29)12-26-24(32)30-10-9-18-19(11-25)23(34-21(18)14-30)28-22(31)8-7-16-5-3-4-6-20(16)33-2/h3-6,13,15H,7-10,12,14H2,1-2H3,(H,26,32)(H,28,31).

What are the key properties of 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?

3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylimidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 143626153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).