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

C24H19F3N4O2 — CID 135349167

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C24H19F3N4O2/c25-16-3-6-23(19(27)12-16)33-18-7-9-31(10-8-18)22-5-1-15(13-28)11-21(22)30-24(32)20-4-2-17(26)14-29-20/h1-6,11-12,14,18H,7-10H2,(H,30,32)
InChIKeyMLKYORIAENTJBJ-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.67
Rot. Bonds5

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

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 135349167) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide
PubChem CID135349167
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C24H19F3N4O2/c25-16-3-6-23(19(27)12-16)33-18-7-9-31(10-8-18)22-5-1-15(13-28)11-21(22)30-24(32)20-4-2-17(26)14-29-20/h1-6,11-12,14,18H,7-10H2,(H,30,32)
InChIKeyMLKYORIAENTJBJ-UHFFFAOYSA-N
XLogP4.67
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-Oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide
CID 44425932
N-[3-(4-amino-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 53252793
N-[3-(4-amino-7-fluoro-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 53252841
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-cyanophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710291
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710344
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxyphenoxy) piperidine-1-carbonyl)picolinamide
CID 66710345
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-cyanophenoxy) piperidine-1-carbonyl)nicotinamide
CID 66710645
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)nicotinamide
CID 66710857
7-(4-fluoro-phenyl)-3-phenoxymethyl-6,7-dihydro-[1,7]-naphthyridin-8(5H)-one
CID 68008713
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-2-carboxamide
CID 71543951
N-[4-methyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127043947
5-(3-fluorophenoxy)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide
CID 23728693

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide (CID 135349167) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide is N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccc(F)cn2)c1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is MLKYORIAENTJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c25-16-3-6-23(19(27)12-16)33-18-7-9-31(10-8-18)22-5-1-15(13-28)11-21(22)30-24(32)20-4-2-17(26)14-29-20/h1-6,11-12,14,18H,7-10H2,(H,30,32).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 4.67, 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]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 135349167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).