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

C20H16F3N3O — CID 109162294

IUPACN-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1
InChIInChI=1S/C20H16F3N3O/c1-13-2-7-17(8-3-13)26-19(27)14-4-11-18(24-12-14)25-16-9-5-15(6-10-16)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyJPRKCEGKVMMMQK-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.40
Rot. Bonds4

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

N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109162294) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109162294
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1
InChIInChI=1S/C20H16F3N3O/c1-13-2-7-17(8-3-13)26-19(27)14-4-11-18(24-12-14)25-16-9-5-15(6-10-16)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyJPRKCEGKVMMMQK-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156235

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109162294) is N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is JPRKCEGKVMMMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-13-2-7-17(8-3-13)26-19(27)14-4-11-18(24-12-14)25-16-9-5-15(6-10-16)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109162294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).