N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

C20H15F4N3O — CID 109233370

IUPACN-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H15F4N3O/c21-17-7-3-1-5-13(17)11-26-19(28)14-9-15(12-25-10-14)27-18-8-4-2-6-16(18)20(22,23)24/h1-10,12,27H,11H2,(H,26,28)
InChIKeyHTAAPJIZEMRXAS-UHFFFAOYSA-N
MW389.35 g/mol
LogP4.91
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109233370) has the molecular formula C20H15F4N3O and a molecular weight of 389.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109233370
Molecular FormulaC20H15F4N3O
Molecular Weight389.35 g/mol
Exact Mass389.12
IUPAC NameN-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H15F4N3O/c21-17-7-3-1-5-13(17)11-26-19(28)14-9-15(12-25-10-14)27-18-8-4-2-6-16(18)20(22,23)24/h1-10,12,27H,11H2,(H,26,28)
InChIKeyHTAAPJIZEMRXAS-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109235856
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233349
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109227465
N-(4-acetylphenyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245712
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
N-[(2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109233382

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109233370) is N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCc1ccccc1F)c1cncc(Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is HTAAPJIZEMRXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O/c21-17-7-3-1-5-13(17)11-26-19(28)14-9-15(12-25-10-14)27-18-8-4-2-6-16(18)20(22,23)24/h1-10,12,27H,11H2,(H,26,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 389.35 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109233370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).