2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile

C20H22N6O — CID 137296033

IUPAC2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile
SMILESCCN(CC)c1ccc(C=NNc2nc(C)c(C)c(C#N)c2C#N)c(O)c1
InChIInChI=1S/C20H22N6O/c1-5-26(6-2)16-8-7-15(19(27)9-16)12-23-25-20-18(11-22)17(10-21)13(3)14(4)24-20/h7-9,12,27H,5-6H2,1-4H3,(H,24,25)
InChIKeyPMJZROKZHSEARE-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.44
Rot. Bonds6

About 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile

2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile (PubChem CID 137296033) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile
PubChem CID137296033
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile
SMILESCCN(CC)c1ccc(C=NNc2nc(C)c(C)c(C#N)c2C#N)c(O)c1
InChIInChI=1S/C20H22N6O/c1-5-26(6-2)16-8-7-15(19(27)9-16)12-23-25-20-18(11-22)17(10-21)13(3)14(4)24-20/h7-9,12,27H,5-6H2,1-4H3,(H,24,25)
InChIKeyPMJZROKZHSEARE-UHFFFAOYSA-N
XLogP3.44
TPSA108.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
CID 4646676
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135684895
2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 3318955
2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135628631
2-[(E)-[[amino(sulfanyl)methyl]hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 142921630
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl] thiocyanate
CID 135556431
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
3-[4-(diethylamino)-2-hydroxyphenyl]prop-2-enenitrile
CID 169484508
2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 5113513
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 136774445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile?
The IUPAC name of 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile (CID 137296033) is 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile is CCN(CC)c1ccc(C=NNc2nc(C)c(C)c(C#N)c2C#N)c(O)c1.
What is the InChIKey of 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile?
The InChIKey is PMJZROKZHSEARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-5-26(6-2)16-8-7-15(19(27)9-16)12-23-25-20-18(11-22)17(10-21)13(3)14(4)24-20/h7-9,12,27H,5-6H2,1-4H3,(H,24,25).
What are the key properties of 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile?
2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile has a molecular weight of 362.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile is sourced from PubChem (CID 137296033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).