4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide

C24H17F3N4O — CID 89468197

IUPAC4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)cc1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C24H17F3N4O/c25-24(26,27)22-11-20(9-10-30-22)17-3-1-16(2-4-17)12-31-23(32)19-7-5-18(6-8-19)21-13-28-15-29-14-21/h1-11,13-15H,12H2,(H,31,32)
InChIKeySFPUIEPIVWTJEH-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.15
Rot. Bonds5

About 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide

4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide (PubChem CID 89468197) has the molecular formula C24H17F3N4O and a molecular weight of 434.42 g/mol. Its IUPAC name is 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide
PubChem CID89468197
Molecular FormulaC24H17F3N4O
Molecular Weight434.42 g/mol
Exact Mass434.14
IUPAC Name4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)cc1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C24H17F3N4O/c25-24(26,27)22-11-20(9-10-30-22)17-3-1-16(2-4-17)12-31-23(32)19-7-5-18(6-8-19)21-13-28-15-29-14-21/h1-11,13-15H,12H2,(H,31,32)
InChIKeySFPUIEPIVWTJEH-UHFFFAOYSA-N
XLogP5.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 56598085
N-[[4-[2-(1,1-difluoroethyl)-4-pyridinyl]phenyl]methyl]-4-pyrimidin-5-ylbenzamide;N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]-4-pyrazin-2-ylbenzamide;methane;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 159462784
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 167934472
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-3-methyl-4-pyrazin-2-ylbenzamide
CID 89457567
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 66632513
N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 91816053
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide?
The IUPAC name of 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide (CID 89468197) is 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide is O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)cc1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide?
The InChIKey is SFPUIEPIVWTJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O/c25-24(26,27)22-11-20(9-10-30-22)17-3-1-16(2-4-17)12-31-23(32)19-7-5-18(6-8-19)21-13-28-15-29-14-21/h1-11,13-15H,12H2,(H,31,32).
What are the key properties of 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide?
4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide has a molecular weight of 434.42 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide is sourced from PubChem (CID 89468197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).