N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C19H15F3N4O — CID 59673003

IUPACN-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)nc(C)n1
InChIInChI=1S/C19H15F3N4O/c1-11-9-17(25-12(2)24-11)26-18(27)14-5-3-13(4-6-14)16-10-15(7-8-23-16)19(20,21)22/h3-10H,1-2H3,(H,24,25,26,27)
InChIKeyCUNNABRGMMKHEB-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.43
Rot. Bonds3

About N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673003) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673003
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)nc(C)n1
InChIInChI=1S/C19H15F3N4O/c1-11-9-17(25-12(2)24-11)26-18(27)14-5-3-13(4-6-14)16-10-15(7-8-23-16)19(20,21)22/h3-10H,1-2H3,(H,24,25,26,27)
InChIKeyCUNNABRGMMKHEB-UHFFFAOYSA-N
XLogP4.43
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673707
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide
CID 72833977
N-(2-methoxyethyl)-N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 119075124
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673003) is N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Cc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)nc(C)n1.
What is the InChIKey of N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is CUNNABRGMMKHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-11-9-17(25-12(2)24-11)26-18(27)14-5-3-13(4-6-14)16-10-15(7-8-23-16)19(20,21)22/h3-10H,1-2H3,(H,24,25,26,27).
What are the key properties of N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 372.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).