(4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

C14H12ClN3O — CID 6517207

IUPAC(4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCC1=C(C#N)/C(=C/Nc2cccc(Cl)c2)CC(=O)N1
InChIInChI=1S/C14H12ClN3O/c1-9-13(7-16)10(5-14(19)18-9)8-17-12-4-2-3-11(15)6-12/h2-4,6,8,17H,5H2,1H3,(H,18,19)/b10-8+
InChIKeyFLJRKPUYFDDFIN-CSKARUKUSA-N
MW273.72 g/mol
LogP2.95
Rot. Bonds2

About (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile

(4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 6517207) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID6517207
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name(4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCC1=C(C#N)/C(=C/Nc2cccc(Cl)c2)CC(=O)N1
InChIInChI=1S/C14H12ClN3O/c1-9-13(7-16)10(5-14(19)18-9)8-17-12-4-2-3-11(15)6-12/h2-4,6,8,17H,5H2,1H3,(H,18,19)/b10-8+
InChIKeyFLJRKPUYFDDFIN-CSKARUKUSA-N
XLogP2.95
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloroanilino)methylidene]cycloheptan-1-one
CID 3296052
2-[(3-chloroanilino)methylidene]-4H-1,4-benzothiazin-3-one
CID 1475209
5-[(3-chloroanilino)methylidene]-2,2-dimethyl-(514C)1,3-dioxane-4,6-dione
CID 11482981
4-(3-chlorophenyl)-4-methylpiperidine-2,6-dione
CID 63156120
(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one
CID 18531505
2-(3-chloroanilino)-4-methylbenzonitrile
CID 55194414
2-[(3-methylanilino)methylidene]cycloheptan-1-one
CID 5226356
(3E)-3-[[5-(3-chloroanilino)-7-[(3-hydroxy-2,2-dimethylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58314443
3-(3-chloroanilino)-5,5-dimethylthiane-3-carbonitrile
CID 79959016
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(3-chloroanilino)carbamic acid
CID 23031912
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 6517207) is (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is CC1=C(C#N)/C(=C/Nc2cccc(Cl)c2)CC(=O)N1.
What is the InChIKey of (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FLJRKPUYFDDFIN-CSKARUKUSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-9-13(7-16)10(5-14(19)18-9)8-17-12-4-2-3-11(15)6-12/h2-4,6,8,17H,5H2,1H3,(H,18,19)/b10-8+.
What are the key properties of (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile?
(4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-chloroanilino)methylidene]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 6517207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).