5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C18H19ClF3N3O — CID 109240451

IUPAC5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C18H19ClF3N3O/c1-3-4-7-25(2)14-8-12(10-23-11-14)17(26)24-16-6-5-13(19)9-15(16)18(20,21)22/h5-6,8-11H,3-4,7H2,1-2H3,(H,24,26)
InChIKeyNNAFQEZOVHQPPJ-UHFFFAOYSA-N
MW385.82 g/mol
LogP5.24
Rot. Bonds6

About 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109240451) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109240451
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC Name5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C18H19ClF3N3O/c1-3-4-7-25(2)14-8-12(10-23-11-14)17(26)24-16-6-5-13(19)9-15(16)18(20,21)22/h5-6,8-11H,3-4,7H2,1-2H3,(H,24,26)
InChIKeyNNAFQEZOVHQPPJ-UHFFFAOYSA-N
XLogP5.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.82
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224708
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109240389
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223532
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
CID 109160729
5-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109240384
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
5-[butyl(methyl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109240367
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153836

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109240451) is 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCCCN(C)c1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NNAFQEZOVHQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c1-3-4-7-25(2)14-8-12(10-23-11-14)17(26)24-16-6-5-13(19)9-15(16)18(20,21)22/h5-6,8-11H,3-4,7H2,1-2H3,(H,24,26).
What are the key properties of 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 385.82 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109240451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).