N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide

C13H9F2N3O — CID 6902849

IUPACN-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1F)c1ccncc1
InChIInChI=1S/C13H9F2N3O/c14-11-2-1-10(12(15)7-11)8-17-18-13(19)9-3-5-16-6-4-9/h1-8H,(H,18,19)/b17-8+
InChIKeyYCDHFVFVOTXUPO-CAOOACKPSA-N
MW261.23 g/mol
LogP2.12
Rot. Bonds3

About N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6902849) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID6902849
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC NameN-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1F)c1ccncc1
InChIInChI=1S/C13H9F2N3O/c14-11-2-1-10(12(15)7-11)8-17-18-13(19)9-3-5-16-6-4-9/h1-8H,(H,18,19)/b17-8+
InChIKeyYCDHFVFVOTXUPO-CAOOACKPSA-N
XLogP2.12
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.12
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-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 5401153
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
[3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 6271069
N-[(E)-3-aminopropylideneamino]pyridine-4-carboxamide
CID 58684890
[3-benzoyloxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5106665
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide (CID 6902849) is N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc(F)cc1F)c1ccncc1.
What is the InChIKey of N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is YCDHFVFVOTXUPO-CAOOACKPSA-N. The full InChI is InChI=1S/C13H9F2N3O/c14-11-2-1-10(12(15)7-11)8-17-18-13(19)9-3-5-16-6-4-9/h1-8H,(H,18,19)/b17-8+.
What are the key properties of N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 261.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6902849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).