4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile

C20H18N4O2S — CID 126086963

IUPAC4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N/N=C/c2ccc(Sc3ccccc3)o2)c1C#N
InChIInChI=1S/C20H18N4O2S/c1-14-10-15(13-25-2)18(11-21)20(23-14)24-22-12-16-8-9-19(26-16)27-17-6-4-3-5-7-17/h3-10,12H,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyNJTPGJQJXMOFGQ-WSDLNYQXSA-N
MW378.46 g/mol
LogP4.60
Rot. Bonds7

About 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile (PubChem CID 126086963) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile
PubChem CID126086963
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N/N=C/c2ccc(Sc3ccccc3)o2)c1C#N
InChIInChI=1S/C20H18N4O2S/c1-14-10-15(13-25-2)18(11-21)20(23-14)24-22-12-16-8-9-19(26-16)27-17-6-4-3-5-7-17/h3-10,12H,13H2,1-2H3,(H,23,24)/b22-12+
InChIKeyNJTPGJQJXMOFGQ-WSDLNYQXSA-N
XLogP4.60
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[(2E)-2-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 126089667
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 5335822
2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 6151006
2-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3976826
2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3894925
4-(methoxymethyl)-6-methyl-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile
CID 5188586
2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135628631
2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 77115418
2-[2-[(5-bromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3116309
2-[(2Z)-2-[(5-bromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 136714309
2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 4657232
2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126085637

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile (CID 126086963) is 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile is COCc1cc(C)nc(N/N=C/c2ccc(Sc3ccccc3)o2)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
The InChIKey is NJTPGJQJXMOFGQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-14-10-15(13-25-2)18(11-21)20(23-14)24-22-12-16-8-9-19(26-16)27-17-6-4-3-5-7-17/h3-10,12H,13H2,1-2H3,(H,23,24)/b22-12+.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile has a molecular weight of 378.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 126086963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).