4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C21H18F3N3O — CID 109210364

IUPAC4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C21H18F3N3O/c1-14-4-2-5-15(10-14)13-26-17-8-9-25-19(12-17)20(28)27-18-7-3-6-16(11-18)21(22,23)24/h2-12H,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyBDDKNJBFLKDCLI-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.27
Rot. Bonds5

About 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109210364) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109210364
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C21H18F3N3O/c1-14-4-2-5-15(10-14)13-26-17-8-9-25-19(12-17)20(28)27-18-7-3-6-16(11-18)21(22,23)24/h2-12H,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyBDDKNJBFLKDCLI-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-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213709
methyl 3-[[4-[(3-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210371
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209829
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210289

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109210364) is 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Cc1cccc(CNc2ccnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is BDDKNJBFLKDCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-14-4-2-5-15(10-14)13-26-17-8-9-25-19(12-17)20(28)27-18-7-3-6-16(11-18)21(22,23)24/h2-12H,13H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-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 4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).