N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C24H14ClF5N4O3 — CID 167268113

IUPACN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)n(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
InChIInChI=1S/C24H14ClF5N4O3/c25-20-18(9-10-32-21(20)31)37-17-7-3-13(11-16(17)27)33-22(35)15-6-8-19(24(28,29)30)34(23(15)36)14-4-1-12(26)2-5-14/h1-11H,(H2,31,32)(H,33,35)
InChIKeyIALBWUYRNTVMBM-UHFFFAOYSA-N
MW536.84 g/mol
LogP5.81
Rot. Bonds5

About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167268113) has the molecular formula C24H14ClF5N4O3 and a molecular weight of 536.84 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID167268113
Molecular FormulaC24H14ClF5N4O3
Molecular Weight536.84 g/mol
Exact Mass536.07
IUPAC NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)n(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
InChIInChI=1S/C24H14ClF5N4O3/c25-20-18(9-10-32-21(20)31)37-17-7-3-13(11-16(17)27)33-22(35)15-6-8-19(24(28,29)30)34(23(15)36)14-4-1-12(26)2-5-14/h1-11H,(H2,31,32)(H,33,35)
InChIKeyIALBWUYRNTVMBM-UHFFFAOYSA-N
XLogP5.81
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.84
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxamide
CID 155177383
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide
CID 155538576
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545400
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-6-methyl-1-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 167268776
N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 169025743
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxo-1-pyridinyl]methyl phosphate
CID 159266494
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide
CID 90338904
N-[4-[(2-amino-3-cyano-4-pyridinyl)oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169150268
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-3H-pyridine-5-carboxamide
CID 68735331
N-[4-[[2-amino-3-(3-methyl-3-piperazin-1-ylbut-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 169150331
N-[4-[(2-amino-3-prop-1-ynyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155555771

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 167268113) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)n(-c4ccc(F)cc4)c3=O)cc2F)c1Cl.
What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IALBWUYRNTVMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF5N4O3/c25-20-18(9-10-32-21(20)31)37-17-7-3-13(11-16(17)27)33-22(35)15-6-8-19(24(28,29)30)34(23(15)36)14-4-1-12(26)2-5-14/h1-11H,(H2,31,32)(H,33,35).
What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 536.84 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167268113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).