4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C19H15F3N4O — CID 109212905

IUPAC4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)13-4-6-14(7-5-13)26-18(27)17-11-15(8-10-24-17)25-12-16-3-1-2-9-23-16/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyVECKLEPVZOECDS-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.36
Rot. Bonds5

About 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109212905) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109212905
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)13-4-6-14(7-5-13)26-18(27)17-11-15(8-10-24-17)25-12-16-3-1-2-9-23-16/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyVECKLEPVZOECDS-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
4-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213710
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212879
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212895
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109212905) is 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(NCc2ccccn2)ccn1.
What is the InChIKey of 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is VECKLEPVZOECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)13-4-6-14(7-5-13)26-18(27)17-11-15(8-10-24-17)25-12-16-3-1-2-9-23-16/h1-11H,12H2,(H,24,25)(H,26,27).
What are the key properties of 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109212905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).