N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide

C24H20F2N4O4 — CID 154976157

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide (PubChem CID 154976157) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide
• PubChem CID: 154976157
• Molecular Formula: C24H20F2N4O4
• Molecular Weight: 466.44 g/mol
• Exact Mass: 466.15
• IUPAC Name: N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide
• SMILES: COc1ccc2oc(/C=C/c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)cc2c1
• InChI: InChI=1S/C24H20F2N4O4/c1-33-18-4-5-21-16(8-18)9-19(34-21)3-2-15-12-28-7-6-20(15)23(32)29-13-22(31)30-14-24(25,26)10-17(30)11-27/h2-9,12,17H,10,13-14H2,1H3,(H,29,32)/b3-2+
• InChIKey: VBJLKOCGHKMOPA-NSCUHMNNSA-N
• XLogP: 3.50
• TPSA: 108.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.44
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide?

The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide (CID 154976157) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide?

The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide is COc1ccc2oc(/C=C/c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)cc2c1.

What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide?

The InChIKey is VBJLKOCGHKMOPA-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c1-33-18-4-5-21-16(8-18)9-19(34-21)3-2-15-12-28-7-6-20(15)23(32)29-13-22(31)30-14-24(25,26)10-17(30)11-27/h2-9,12,17H,10,13-14H2,1H3,(H,29,32)/b3-2+.

What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide?

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide has a molecular weight of 466.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154976157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).