N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide

C13H9F3N4O — CID 139983800

IUPACN-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccccn1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)11-4-6-17-8-10(11)12(21)20-19-7-9-3-1-2-5-18-9/h1-8H,(H,20,21)
InChIKeyJQLSZOWJSDWGQQ-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.26
Rot. Bonds3

About N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 139983800) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID139983800
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC NameN-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccccn1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)11-4-6-17-8-10(11)12(21)20-19-7-9-3-1-2-5-18-9/h1-8H,(H,20,21)
InChIKeyJQLSZOWJSDWGQQ-UHFFFAOYSA-N
XLogP2.26
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 5028202
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
2-benzamido-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4111465
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 139983800) is N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NN=Cc1ccccn1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JQLSZOWJSDWGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)11-4-6-17-8-10(11)12(21)20-19-7-9-3-1-2-5-18-9/h1-8H,(H,20,21).
What are the key properties of N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 294.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139983800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).