N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide

C24H18F4N4O2 — CID 135349255

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ncc(F)cc2F)c1
InChIInChI=1S/C24H18F4N4O2/c25-15-2-4-22(18(27)10-15)34-17-5-7-32(8-6-17)21-3-1-14(12-29)9-20(21)31-24(33)23-19(28)11-16(26)13-30-23/h1-4,9-11,13,17H,5-8H2,(H,31,33)
InChIKeyJZPCETJMMYVSSD-UHFFFAOYSA-N
MW470.43 g/mol
LogP4.81
Rot. Bonds5

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 135349255) has the molecular formula C24H18F4N4O2 and a molecular weight of 470.43 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide
PubChem CID135349255
Molecular FormulaC24H18F4N4O2
Molecular Weight470.43 g/mol
Exact Mass470.14
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ncc(F)cc2F)c1
InChIInChI=1S/C24H18F4N4O2/c25-15-2-4-22(18(27)10-15)34-17-5-7-32(8-6-17)21-3-1-14(12-29)9-20(21)31-24(33)23-19(28)11-16(26)13-30-23/h1-4,9-11,13,17H,5-8H2,(H,31,33)
InChIKeyJZPCETJMMYVSSD-UHFFFAOYSA-N
XLogP4.81
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide (CID 135349255) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide is N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ncc(F)cc2F)c1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is JZPCETJMMYVSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O2/c25-15-2-4-22(18(27)10-15)34-17-5-7-32(8-6-17)21-3-1-14(12-29)9-20(21)31-24(33)23-19(28)11-16(26)13-30-23/h1-4,9-11,13,17H,5-8H2,(H,31,33).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 470.43 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 135349255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).