N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide

C25H14F6N4O2 — CID 46224452

IUPACN-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc(C(F)(F)F)c1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C25H14F6N4O2/c26-24(27,28)18-7-1-4-15(12-18)21(36)35(22(37)16-5-2-8-19(13-16)25(29,30)31)23-33-11-9-20(34-23)17-6-3-10-32-14-17/h1-14H
InChIKeyWTDNRPRTGIKUSA-UHFFFAOYSA-N
MW516.40 g/mol
LogP6.06
Rot. Bonds4

About N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide

N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide (PubChem CID 46224452) has the molecular formula C25H14F6N4O2 and a molecular weight of 516.40 g/mol. Its IUPAC name is N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide.

Molecular Properties

Compound NameN-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
PubChem CID46224452
Molecular FormulaC25H14F6N4O2
Molecular Weight516.40 g/mol
Exact Mass516.10
IUPAC NameN-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc(C(F)(F)F)c1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C25H14F6N4O2/c26-24(27,28)18-7-1-4-15(12-18)21(36)35(22(37)16-5-2-8-19(13-16)25(29,30)31)23-33-11-9-20(34-23)17-6-3-10-32-14-17/h1-14H
InChIKeyWTDNRPRTGIKUSA-UHFFFAOYSA-N
XLogP6.06
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.40
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide
CID 46224440
N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
CID 46224438
2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
4-[3-(4-methylimidazol-1-yl)-N-(4-pyridin-3-ylpyrimidin-2-yl)-5-(trifluoromethyl)anilino]benzamide;hydrochloride
CID 142785648
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337
2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine
CID 71134890
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;hydrobromide
CID 66555548
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91817167
3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
CID 7797396

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide?
The IUPAC name of N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide (CID 46224452) is N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide.
What is the SMILES notation for N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide?
The canonical SMILES for N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide is O=C(c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc(C(F)(F)F)c1)c1nccc(-c2cccnc2)n1.
What is the InChIKey of N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide?
The InChIKey is WTDNRPRTGIKUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F6N4O2/c26-24(27,28)18-7-1-4-15(12-18)21(36)35(22(37)16-5-2-8-19(13-16)25(29,30)31)23-33-11-9-20(34-23)17-6-3-10-32-14-17/h1-14H.
What are the key properties of N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide?
N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide has a molecular weight of 516.40 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide is sourced from PubChem (CID 46224452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).