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

C18H14ClF3N4O — CID 45485773

IUPACN-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccn(C)n2)c1
InChIInChI=1S/C18H14ClF3N4O/c1-10-12(4-6-16(23-10)18(20,21)22)17(27)24-11-3-5-14(19)13(9-11)15-7-8-26(2)25-15/h3-9H,1-2H3,(H,24,27)
InChIKeyYFTKIAJWHHRJHY-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.72
Rot. Bonds3

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

N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45485773) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45485773
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC NameN-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccn(C)n2)c1
InChIInChI=1S/C18H14ClF3N4O/c1-10-12(4-6-16(23-10)18(20,21)22)17(27)24-11-3-5-14(19)13(9-11)15-7-8-26(2)25-15/h3-9H,1-2H3,(H,24,27)
InChIKeyYFTKIAJWHHRJHY-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45485773) is N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccn(C)n2)c1.
What is the InChIKey of N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YFTKIAJWHHRJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-10-12(4-6-16(23-10)18(20,21)22)17(27)24-11-3-5-14(19)13(9-11)15-7-8-26(2)25-15/h3-9H,1-2H3,(H,24,27).
What are the key properties of N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 394.78 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45485773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).