N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide

C25H22N4O2S — CID 59301583

About N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide

N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 59301583) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide
• PubChem CID: 59301583
• Molecular Formula: C25H22N4O2S
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.15
• IUPAC Name: N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide
• SMILES: N#Cc1c(NC(=O)C2CC2c2ccccc2)sc2c1CCN(C(=O)Cc1ccccn1)C2
• InChI: InChI=1S/C25H22N4O2S/c26-14-21-18-9-11-29(23(30)12-17-8-4-5-10-27-17)15-22(18)32-25(21)28-24(31)20-13-19(20)16-6-2-1-3-7-16/h1-8,10,19-20H,9,11-13,15H2,(H,28,31)
• InChIKey: QTRMMKCCVFTAHA-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 86.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide (CID 59301583) is N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide.

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

The canonical SMILES for N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide is N#Cc1c(NC(=O)C2CC2c2ccccc2)sc2c1CCN(C(=O)Cc1ccccn1)C2.

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

The InChIKey is QTRMMKCCVFTAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c26-14-21-18-9-11-29(23(30)12-17-8-4-5-10-27-17)15-22(18)32-25(21)28-24(31)20-13-19(20)16-6-2-1-3-7-16/h1-8,10,19-20H,9,11-13,15H2,(H,28,31).

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

N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 59301583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).