4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile

C13H10N4O2 — CID 135781819

IUPAC4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)c(/C=N\O)c[nH]c1=O
InChIInChI=1S/C13H10N4O2/c14-6-11-12(17-10-4-2-1-3-5-10)9(8-16-19)7-15-13(11)18/h1-5,7-8,19H,(H2,15,17,18)/b16-8-
InChIKeyQUMBPFLGAYMJOY-PXNMLYILSA-N
MW254.25 g/mol
LogP1.80
Rot. Bonds3

About 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile

4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 135781819) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID135781819
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)c(/C=N\O)c[nH]c1=O
InChIInChI=1S/C13H10N4O2/c14-6-11-12(17-10-4-2-1-3-5-10)9(8-16-19)7-15-13(11)18/h1-5,7-8,19H,(H2,15,17,18)/b16-8-
InChIKeyQUMBPFLGAYMJOY-PXNMLYILSA-N
XLogP1.80
TPSA101.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135851748
4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135850828
4-anilino-5-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135400596
4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 1380777
4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518521
5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135603822
3-oxo-2H-isoquinoline-4-carbonitrile
CID 89302996
4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 135407267
6-anilino-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
CID 12749108
2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
CID 136694231
5-(4-benzoylanilino)-3-oxo-1,2-thiazole-4-carbonitrile
CID 16727907
2-amino-4-anilino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-6-oxopyrimidine-5-carbonitrile
CID 135453236

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 135781819) is 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(Nc2ccccc2)c(/C=N\O)c[nH]c1=O.
What is the InChIKey of 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is QUMBPFLGAYMJOY-PXNMLYILSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-6-11-12(17-10-4-2-1-3-5-10)9(8-16-19)7-15-13(11)18/h1-5,7-8,19H,(H2,15,17,18)/b16-8-.
What are the key properties of 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135781819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).