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

C19H15F3N4O — CID 109157711

IUPAC6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-4-3-6-15(10-14)26-18(27)13-7-8-17(24-11-13)25-12-16-5-1-2-9-23-16/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyKKBSDILNDBXLPX-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.36
Rot. Bonds5

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

6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109157711) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109157711
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-4-3-6-15(10-14)26-18(27)13-7-8-17(24-11-13)25-12-16-5-1-2-9-23-16/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyKKBSDILNDBXLPX-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

5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161183
3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60601250
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066
6-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157732
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11544749

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109157711) is 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NCc2ccccn2)nc1.
What is the InChIKey of 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KKBSDILNDBXLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)14-4-3-6-15(10-14)26-18(27)13-7-8-17(24-11-13)25-12-16-5-1-2-9-23-16/h1-11H,12H2,(H,24,25)(H,26,27).
What are the key properties of 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-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 6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109157711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).