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

C21H18F3N3O — CID 109156075

IUPACN-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1
InChIInChI=1S/C21H18F3N3O/c1-14-2-4-15(5-3-14)12-26-20(28)16-6-11-19(25-13-16)27-18-9-7-17(8-10-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyIBYZGJBIGVJSFY-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.08
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109156075) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109156075
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1
InChIInChI=1S/C21H18F3N3O/c1-14-2-4-15(5-3-14)12-26-20(28)16-6-11-19(25-13-16)27-18-9-7-17(8-10-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyIBYZGJBIGVJSFY-UHFFFAOYSA-N
XLogP5.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157983
ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156091
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156084
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109158163
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109156075) is N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(Nc3ccc(C(F)(F)F)cc3)nc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is IBYZGJBIGVJSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-14-2-4-15(5-3-14)12-26-20(28)16-6-11-19(25-13-16)27-18-9-7-17(8-10-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109156075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).