N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

C19H15F3N4O — CID 109157983

IUPACN-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-4-6-16(7-5-15)26-17-8-3-14(12-24-17)18(27)25-11-13-2-1-9-23-10-13/h1-10,12H,11H2,(H,24,26)(H,25,27)
InChIKeyACYUPOVSMRRGOB-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.17
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109157983) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109157983
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-4-6-16(7-5-15)26-17-8-3-14(12-24-17)18(27)25-11-13-2-1-9-23-10-13/h1-10,12H,11H2,(H,24,26)(H,25,27)
InChIKeyACYUPOVSMRRGOB-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109158163
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157873
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109157983) is N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is ACYUPOVSMRRGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)15-4-6-16(7-5-15)26-17-8-3-14(12-24-17)18(27)25-11-13-2-1-9-23-10-13/h1-10,12H,11H2,(H,24,26)(H,25,27).
What are the key properties of N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109157983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).