N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

C18H20F3N3O — CID 109240301

IUPACN-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O/c1-3-4-9-24(2)17(25)13-10-14(12-22-11-13)23-16-8-6-5-7-15(16)18(19,20)21/h5-8,10-12,23H,3-4,9H2,1-2H3
InChIKeyYSCLYBWTUXFNNK-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.72
Rot. Bonds6

About N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109240301) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109240301
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O/c1-3-4-9-24(2)17(25)13-10-14(12-22-11-13)23-16-8-6-5-7-15(16)18(19,20)21/h5-8,10-12,23H,3-4,9H2,1-2H3
InChIKeyYSCLYBWTUXFNNK-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109240290
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
CID 109240281
N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109235856
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238796
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
N-(4-acetylphenyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245712
N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109006214

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109240301) is N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is CCCCN(C)C(=O)c1cncc(Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is YSCLYBWTUXFNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-3-4-9-24(2)17(25)13-10-14(12-22-11-13)23-16-8-6-5-7-15(16)18(19,20)21/h5-8,10-12,23H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109240301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).