3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide

C18H14F4N4O — CID 158518976

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)c(C(=O)Nc2ccn(C)n2)n1
InChIInChI=1S/C18H14F4N4O/c1-10-3-5-12(11-4-6-14(19)13(9-11)18(20,21)22)16(23-10)17(27)24-15-7-8-26(2)25-15/h3-9H,1-2H3,(H,24,25,27)
InChIKeyHLZFPQAWUDMXKB-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.20
Rot. Bonds3

About 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide

3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 158518976) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID158518976
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)c(C(=O)Nc2ccn(C)n2)n1
InChIInChI=1S/C18H14F4N4O/c1-10-3-5-12(11-4-6-14(19)13(9-11)18(20,21)22)16(23-10)17(27)24-15-7-8-26(2)25-15/h3-9H,1-2H3,(H,24,25,27)
InChIKeyHLZFPQAWUDMXKB-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide (CID 158518976) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide is Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)c(C(=O)Nc2ccn(C)n2)n1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is HLZFPQAWUDMXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-10-3-5-12(11-4-6-14(19)13(9-11)18(20,21)22)16(23-10)17(27)24-15-7-8-26(2)25-15/h3-9H,1-2H3,(H,24,25,27).
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 378.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 158518976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).