6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H16F3N3O — CID 109155532

IUPAC6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)16-8-4-5-9-17(16)26-19(27)15-10-11-18(25-13-15)24-12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,25)(H,26,27)
InChIKeyBAAKQTLTNPUTQP-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.96
Rot. Bonds5

About 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109155532) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109155532
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)16-8-4-5-9-17(16)26-19(27)15-10-11-18(25-13-15)24-12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,25)(H,26,27)
InChIKeyBAAKQTLTNPUTQP-UHFFFAOYSA-N
XLogP4.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
6-anilino-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109162076
6-(methylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62186448
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
6-[benzyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156314
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109155556
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
methyl 2-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156658
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 84580545
6-[(4-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109156965

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109155532) is 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(NCc2ccccc2)nc1.
What is the InChIKey of 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BAAKQTLTNPUTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)16-8-4-5-9-17(16)26-19(27)15-10-11-18(25-13-15)24-12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,25)(H,26,27).
What are the key properties of 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109155532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).