N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide

C24H19F3N4O2 — CID 118393117

IUPACN-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1cc(-c2ccccc2)c(NC(=O)c2ccc(OC(F)(F)F)c(-c3ccn(C)n3)c2)cn1
InChIInChI=1S/C24H19F3N4O2/c1-15-12-18(16-6-4-3-5-7-16)21(14-28-15)29-23(32)17-8-9-22(33-24(25,26)27)19(13-17)20-10-11-31(2)30-20/h3-14H,1-2H3,(H,29,32)
InChIKeyCKIXFJZTARHMNK-UHFFFAOYSA-N
MW452.44 g/mol
LogP5.61
Rot. Bonds5

About N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide

N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 118393117) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide
PubChem CID118393117
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC NameN-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1cc(-c2ccccc2)c(NC(=O)c2ccc(OC(F)(F)F)c(-c3ccn(C)n3)c2)cn1
InChIInChI=1S/C24H19F3N4O2/c1-15-12-18(16-6-4-3-5-7-16)21(14-28-15)29-23(32)17-8-9-22(33-24(25,26)27)19(13-17)20-10-11-31(2)30-20/h3-14H,1-2H3,(H,29,32)
InChIKeyCKIXFJZTARHMNK-UHFFFAOYSA-N
XLogP5.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide (CID 118393117) is N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide is Cc1cc(-c2ccccc2)c(NC(=O)c2ccc(OC(F)(F)F)c(-c3ccn(C)n3)c2)cn1.
What is the InChIKey of N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is CKIXFJZTARHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-15-12-18(16-6-4-3-5-7-16)21(14-28-15)29-23(32)17-8-9-22(33-24(25,26)27)19(13-17)20-10-11-31(2)30-20/h3-14H,1-2H3,(H,29,32).
What are the key properties of N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide?
N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 452.44 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-phenyl-3-pyridinyl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 118393117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).