N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide

C23H15F3N4O3 — CID 58396487

IUPACN-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2ncccc2-c2ccncn2)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H15F3N4O3/c24-23(25,26)33-18-7-1-4-15(12-18)21(31)30-16-5-2-6-17(13-16)32-22-19(8-3-10-28-22)20-9-11-27-14-29-20/h1-14H,(H,30,31)
InChIKeyURLYUELNXBWKIM-UHFFFAOYSA-N
MW452.39 g/mol
LogP5.48
Rot. Bonds6

About N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide

N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 58396487) has the molecular formula C23H15F3N4O3 and a molecular weight of 452.39 g/mol. Its IUPAC name is N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID58396487
Molecular FormulaC23H15F3N4O3
Molecular Weight452.39 g/mol
Exact Mass452.11
IUPAC NameN-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2ncccc2-c2ccncn2)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H15F3N4O3/c24-23(25,26)33-18-7-1-4-15(12-18)21(31)30-16-5-2-6-17(13-16)32-22-19(8-3-10-28-22)20-9-11-27-14-29-20/h1-14H,(H,30,31)
InChIKeyURLYUELNXBWKIM-UHFFFAOYSA-N
XLogP5.48
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 58397127
N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58397243
N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396502
3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58587740
N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 58587863
N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide
CID 58588466
4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396804
3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 58588283
4-methyl-N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
CID 58396198
3-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38205833
N-(2,4-difluorophenyl)-2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 19902862
3-[[3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-2-pyridinyl]oxy]benzoic acid
CID 91438961

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (CID 58396487) is N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cccc(Oc2ncccc2-c2ccncn2)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is URLYUELNXBWKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O3/c24-23(25,26)33-18-7-1-4-15(12-18)21(31)30-16-5-2-6-17(13-16)32-22-19(8-3-10-28-22)20-9-11-27-14-29-20/h1-14H,(H,30,31).
What are the key properties of N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 452.39 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 58396487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).