N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide

C18H13F3N4O — CID 46224438

IUPACN-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
SMILESCc1cc(-c2cccnc2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N4O/c1-11-8-15(13-5-3-7-22-10-13)24-17(23-11)25-16(26)12-4-2-6-14(9-12)18(19,20)21/h2-10H,1H3,(H,23,24,25,26)
InChIKeyIJHSYESDWYJOJK-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.12
Rot. Bonds3

About N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide

N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 46224438) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID46224438
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC NameN-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
SMILESCc1cc(-c2cccnc2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N4O/c1-11-8-15(13-5-3-7-22-10-13)24-17(23-11)25-16(26)12-4-2-6-14(9-12)18(19,20)21/h2-10H,1H3,(H,23,24,25,26)
InChIKeyIJHSYESDWYJOJK-UHFFFAOYSA-N
XLogP4.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 138319688
N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
CID 46224452
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;hydrobromide
CID 66555548
3-isoquinolin-7-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11574683
3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146621834
4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141288898
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
N-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 16747334
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide (CID 46224438) is N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide is Cc1cc(-c2cccnc2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is IJHSYESDWYJOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-11-8-15(13-5-3-7-22-10-13)24-17(23-11)25-16(26)12-4-2-6-14(9-12)18(19,20)21/h2-10H,1H3,(H,23,24,25,26).
What are the key properties of N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide?
N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 358.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46224438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).