N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

C19H15F3N4O — CID 109157801

IUPACN-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-6-1-2-7-16(15)26-17-9-8-13(11-24-17)18(27)25-12-14-5-3-4-10-23-14/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyQWIXSLBYHUELPZ-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.17
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109157801) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109157801
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-6-1-2-7-16(15)26-17-9-8-13(11-24-17)18(27)25-12-14-5-3-4-10-23-14/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyQWIXSLBYHUELPZ-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-anilino-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109162076
N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109154183
N,N-dipropyl-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109161899
6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109155532
6-(methylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62186448
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893358
2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997
3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109023409
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109157003

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109157801) is N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(Nc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is QWIXSLBYHUELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)15-6-1-2-7-16(15)26-17-9-8-13(11-24-17)18(27)25-12-14-5-3-4-10-23-14/h1-11H,12H2,(H,24,26)(H,25,27).
What are the key properties of N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(pyridin-2-ylmethyl)-6-[2-(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-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109157801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).