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

C19H15F3N4O — CID 109158163

IUPACN-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-2-1-3-16(10-15)26-17-5-4-14(12-24-17)18(27)25-11-13-6-8-23-9-7-13/h1-10,12H,11H2,(H,24,26)(H,25,27)
InChIKeyASKOKKWWWPNMME-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.17
Rot. Bonds5

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

N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109158163) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109158163
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-2-1-3-16(10-15)26-17-5-4-14(12-24-17)18(27)25-11-13-6-8-23-9-7-13/h1-10,12H,11H2,(H,24,26)(H,25,27)
InChIKeyASKOKKWWWPNMME-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

1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157983
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158193
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109158163) is N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is ASKOKKWWWPNMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)15-2-1-3-16(10-15)26-17-5-4-14(12-24-17)18(27)25-11-13-6-8-23-9-7-13/h1-10,12H,11H2,(H,24,26)(H,25,27).
What are the key properties of N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(pyridin-4-ylmethyl)-6-[3-(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-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109158163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).