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

C21H18F3N3O — CID 109156003

IUPAC6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(CNc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C21H18F3N3O/c1-14-2-4-15(5-3-14)12-25-19-11-6-16(13-26-19)20(28)27-18-9-7-17(8-10-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,26)(H,27,28)
InChIKeyVDSRPWZTLKMDDC-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.27
Rot. Bonds5

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

6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109156003) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109156003
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(CNc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C21H18F3N3O/c1-14-2-4-15(5-3-14)12-25-19-11-6-16(13-26-19)20(28)27-18-9-7-17(8-10-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,26)(H,27,28)
InChIKeyVDSRPWZTLKMDDC-UHFFFAOYSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109156003) is 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ccc(CNc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VDSRPWZTLKMDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-14-2-4-15(5-3-14)12-25-19-11-6-16(13-26-19)20(28)27-18-9-7-17(8-10-18)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).