N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide

C22H14ClF3N6O2 — CID 147077357

IUPACN-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide
SMILESNc1ncnc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C22H14ClF3N6O2/c23-16-7-6-14(34-20-15(5-2-8-28-20)18-29-11-30-21(27)32-18)10-17(16)31-19(33)12-3-1-4-13(9-12)22(24,25)26/h1-11H,(H,31,33)(H2,27,29,30,32)
InChIKeyBGFURZFGGQKOPM-UHFFFAOYSA-N
MW486.84 g/mol
LogP5.23
Rot. Bonds5

About N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide

N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide (PubChem CID 147077357) has the molecular formula C22H14ClF3N6O2 and a molecular weight of 486.84 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide
PubChem CID147077357
Molecular FormulaC22H14ClF3N6O2
Molecular Weight486.84 g/mol
Exact Mass486.08
IUPAC NameN-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide
SMILESNc1ncnc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C22H14ClF3N6O2/c23-16-7-6-14(34-20-15(5-2-8-28-20)18-29-11-30-21(27)32-18)10-17(16)31-19(33)12-3-1-4-13(9-12)22(24,25)26/h1-11H,(H,31,33)(H2,27,29,30,32)
InChIKeyBGFURZFGGQKOPM-UHFFFAOYSA-N
XLogP5.23
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 58587863
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide
CID 58396624
N-[2-chloro-5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)benzamide
CID 58396596
2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58588172
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58587740
N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
CID 70860526
N-[2-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
CID 58587823
N-[3-methyl-4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 46846309
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluoro-6-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 2801245
N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide
CID 4669120
4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 58397127

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide (CID 147077357) is N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide is Nc1ncnc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1.
What is the InChIKey of N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BGFURZFGGQKOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N6O2/c23-16-7-6-14(34-20-15(5-2-8-28-20)18-29-11-30-21(27)32-18)10-17(16)31-19(33)12-3-1-4-13(9-12)22(24,25)26/h1-11H,(H,31,33)(H2,27,29,30,32).
What are the key properties of N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide?
N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 486.84 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(4-amino-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-chlorophenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 147077357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).