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

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide
SMILESCOc1ccc2oc(/C=C/c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)cc2c1
InChIInChI=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+
InChIKeyVBJLKOCGHKMOPA-NSCUHMNNSA-N
MW466.44 g/mol
LogP3.50
Rot. Bonds6

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 NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide
PubChem CID154976157
Molecular FormulaC24H20F2N4O4
Molecular Weight466.44 g/mol
Exact Mass466.15
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide
SMILESCOc1ccc2oc(/C=C/c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)cc2c1
InChIInChI=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+
InChIKeyVBJLKOCGHKMOPA-NSCUHMNNSA-N
XLogP3.50
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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).