N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C18H15F3N4O2 — CID 75468856

IUPACN-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOc1ccc(C)nc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H15F3N4O2/c1-11-6-7-14(27-2)16(22-11)23-17(26)12-4-3-5-13(10-12)25-9-8-15(24-25)18(19,20)21/h3-10H,1-2H3,(H,22,23,26)
InChIKeyGKIBETZXXORXKQ-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.86
Rot. Bonds4

About N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 75468856) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID75468856
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOc1ccc(C)nc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H15F3N4O2/c1-11-6-7-14(27-2)16(22-11)23-17(26)12-4-3-5-13(10-12)25-9-8-15(24-25)18(19,20)21/h3-10H,1-2H3,(H,22,23,26)
InChIKeyGKIBETZXXORXKQ-UHFFFAOYSA-N
XLogP3.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 75468856) is N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is COc1ccc(C)nc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is GKIBETZXXORXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-11-6-7-14(27-2)16(22-11)23-17(26)12-4-3-5-13(10-12)25-9-8-15(24-25)18(19,20)21/h3-10H,1-2H3,(H,22,23,26).
What are the key properties of N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 376.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 75468856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).