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

C19H19N5O — CID 135850828

IUPAC4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)c(/C=N\N=C2CCCCC2)c[nH]c1=O
InChIInChI=1S/C19H19N5O/c20-11-17-18(23-15-7-3-1-4-8-15)14(12-21-19(17)25)13-22-24-16-9-5-2-6-10-16/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,21,23,25)/b22-13-
InChIKeySOLSUTGPUUQBBU-XKZIYDEJSA-N
MW333.40 g/mol
LogP3.73
Rot. Bonds4

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

4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 135850828) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID135850828
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)c(/C=N\N=C2CCCCC2)c[nH]c1=O
InChIInChI=1S/C19H19N5O/c20-11-17-18(23-15-7-3-1-4-8-15)14(12-21-19(17)25)13-22-24-16-9-5-2-6-10-16/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,21,23,25)/b22-13-
InChIKeySOLSUTGPUUQBBU-XKZIYDEJSA-N
XLogP3.73
TPSA93.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135851748
4-anilino-5-[(Z)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135781819
4-anilino-5-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135400596
3-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridine-4-carbonitrile
CID 119054196
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-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
CID 140970712
2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
CID 136694231
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
5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135603822

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 135850828) is 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(Nc2ccccc2)c(/C=N\N=C2CCCCC2)c[nH]c1=O.
What is the InChIKey of 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SOLSUTGPUUQBBU-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H19N5O/c20-11-17-18(23-15-7-3-1-4-8-15)14(12-21-19(17)25)13-22-24-16-9-5-2-6-10-16/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,21,23,25)/b22-13-.
What are the key properties of 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-[(Z)-(cyclohexylidenehydrazinylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135850828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).