4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide

C14H12F3N3O — CID 123368878

IUPAC4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCN(c1ccnc(C(N)=O)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c1-20(9-6-7-19-11(8-9)13(18)21)12-5-3-2-4-10(12)14(15,16)17/h2-8H,1H3,(H2,18,21)
InChIKeyZDKIVAOWGMXTJS-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.97
Rot. Bonds3

About 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide

4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 123368878) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID123368878
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCN(c1ccnc(C(N)=O)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c1-20(9-6-7-19-11(8-9)13(18)21)12-5-3-2-4-10(12)14(15,16)17/h2-8H,1H3,(H2,18,21)
InChIKeyZDKIVAOWGMXTJS-UHFFFAOYSA-N
XLogP2.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 58360520
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237
4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
CID 156654472
4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
CID 70978045
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 133313281
4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide
CID 166325517

Frequently Asked Questions

What is the IUPAC name of 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 123368878) is 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide is CN(c1ccnc(C(N)=O)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is ZDKIVAOWGMXTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-20(9-6-7-19-11(8-9)13(18)21)12-5-3-2-4-10(12)14(15,16)17/h2-8H,1H3,(H2,18,21).
What are the key properties of 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 123368878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).