N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide

C14H10F3N3O — CID 6879061

IUPACN-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)11-6-4-10(5-7-11)9-19-20-13(21)12-3-1-2-8-18-12/h1-9H,(H,20,21)/b19-9+
InChIKeyDLGCNGAOUXVBPS-DJKKODMXSA-N
MW293.25 g/mol
LogP2.86
Rot. Bonds3

About N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide

N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide (PubChem CID 6879061) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
PubChem CID6879061
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC NameN-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)11-6-4-10(5-7-11)9-19-20-13(21)12-3-1-2-8-18-12/h1-9H,(H,20,21)/b19-9+
InChIKeyDLGCNGAOUXVBPS-DJKKODMXSA-N
XLogP2.86
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 1421236
N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide
CID 44507539
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-2-carboxamide
CID 44507518
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9015854
N-[2-[[[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
CID 66638176
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 1356844
N-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide (CID 6879061) is N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is DLGCNGAOUXVBPS-DJKKODMXSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)11-6-4-10(5-7-11)9-19-20-13(21)12-3-1-2-8-18-12/h1-9H,(H,20,21)/b19-9+.
What are the key properties of N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide?
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 293.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 6879061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).