N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide

C26H26N4O3S — CID 59389861

About N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide

N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide (PubChem CID 59389861) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide
• PubChem CID: 59389861
• Molecular Formula: C26H26N4O3S
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.17
• IUPAC Name: N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide
• SMILES: COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)CCc2ccncc2)C3)c1
• InChI: InChI=1S/C26H26N4O3S/c1-33-20-4-2-3-19(15-20)5-7-24(31)29-26-22(16-27)21-11-14-30(17-23(21)34-26)25(32)8-6-18-9-12-28-13-10-18/h2-4,9-10,12-13,15H,5-8,11,14,17H2,1H3,(H,29,31)
• InChIKey: OIBHHXXSGUHHDX-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 95.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide?

The IUPAC name of N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide (CID 59389861) is N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide.

What is the SMILES notation for N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide?

The canonical SMILES for N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)CCc2ccncc2)C3)c1.

What is the InChIKey of N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide?

The InChIKey is OIBHHXXSGUHHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-33-20-4-2-3-19(15-20)5-7-24(31)29-26-22(16-27)21-11-14-30(17-23(21)34-26)25(32)8-6-18-9-12-28-13-10-18/h2-4,9-10,12-13,15H,5-8,11,14,17H2,1H3,(H,29,31).

What are the key properties of N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide?

N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 474.59 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-6-(3-pyridin-4-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 59389861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).