N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

C20H16F3N3O — CID 109162369

IUPACN-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1ccccc1
InChIInChI=1S/C20H16F3N3O/c1-26(17-5-3-2-4-6-17)19(27)14-7-12-18(24-13-14)25-16-10-8-15(9-11-16)20(21,22)23/h2-13H,1H3,(H,24,25)
InChIKeyIVRDBRGZOWTDKQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.12
Rot. Bonds4

About N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109162369) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109162369
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1ccccc1
InChIInChI=1S/C20H16F3N3O/c1-26(17-5-3-2-4-6-17)19(27)14-7-12-18(24-13-14)25-16-10-8-15(9-11-16)20(21,22)23/h2-13H,1H3,(H,24,25)
InChIKeyIVRDBRGZOWTDKQ-UHFFFAOYSA-N
XLogP5.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162360
6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162356
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162361
N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156235
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157983
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941
6-anilino-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109162076

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109162369) is N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is CN(C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is IVRDBRGZOWTDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-26(17-5-3-2-4-6-17)19(27)14-7-12-18(24-13-14)25-16-10-8-15(9-11-16)20(21,22)23/h2-13H,1H3,(H,24,25).
What are the key properties of N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109162369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).