6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C21H18N4O2 — CID 123205206

IUPAC6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC=NN(c1ccccc1)c1cc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C21H18N4O2/c1-3-23-25(16-7-5-4-6-8-16)20-13-18(19(14-22)21(26)24-20)15-9-11-17(27-2)12-10-15/h3-13H,1-2H3,(H,24,26)
InChIKeyXOXGLKNENPYRRC-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.07
Rot. Bonds5

About 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 123205206) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID123205206
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC=NN(c1ccccc1)c1cc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C21H18N4O2/c1-3-23-25(16-7-5-4-6-8-16)20-13-18(19(14-22)21(26)24-20)15-9-11-17(27-2)12-10-15/h3-13H,1-2H3,(H,24,26)
InChIKeyXOXGLKNENPYRRC-UHFFFAOYSA-N
XLogP4.07
TPSA81.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
6-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 1475472
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199
4-(4-methoxyphenyl)-2-oxo-6-phenacylsulfanyl-1H-pyridine-3-carbonitrile
CID 3911000
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
CID 724369
4-[6-(4-methoxyphenyl)-1,3-benzodioxol-5-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585647
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
4-(4-methoxyphenyl)-6-oxo-2-(2-phenylanilino)-1H-pyrimidine-5-carbonitrile
CID 135682212
4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657125
6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081

Frequently Asked Questions

What is the IUPAC name of 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 123205206) is 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is CC=NN(c1ccccc1)c1cc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XOXGLKNENPYRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-3-23-25(16-7-5-4-6-8-16)20-13-18(19(14-22)21(26)24-20)15-9-11-17(27-2)12-10-15/h3-13H,1-2H3,(H,24,26).
What are the key properties of 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 358.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-(ethylideneamino)anilino)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 123205206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).