N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide

C24H25N5O2S — CID 59301566

About N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide

N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide (PubChem CID 59301566) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
• PubChem CID: 59301566
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
• SMILES: Cc1cn(CCC(=O)N2CCc3c(sc(NC(=O)CCc4ccccc4)c3C#N)C2)cn1
• InChI: InChI=1S/C24H25N5O2S/c1-17-14-28(16-26-17)11-10-23(31)29-12-9-19-20(13-25)24(32-21(19)15-29)27-22(30)8-7-18-5-3-2-4-6-18/h2-6,14,16H,7-12,15H2,1H3,(H,27,30)
• InChIKey: ODTCACCBWDCCGH-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 91.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide?

The IUPAC name of N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide (CID 59301566) is N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide.

What is the SMILES notation for N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide?

The canonical SMILES for N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide is Cc1cn(CCC(=O)N2CCc3c(sc(NC(=O)CCc4ccccc4)c3C#N)C2)cn1.

What is the InChIKey of N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide?

The InChIKey is ODTCACCBWDCCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-17-14-28(16-26-17)11-10-23(31)29-12-9-19-20(13-25)24(32-21(19)15-29)27-22(30)8-7-18-5-3-2-4-6-18/h2-6,14,16H,7-12,15H2,1H3,(H,27,30).

What are the key properties of N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide?

N-[3-cyano-6-[3-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide has a molecular weight of 447.56 g/mol, XLogP of 3.67, 7 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-(4-methylimidazol-1-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 59301566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).