2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C24H26N4O3 — CID 126011754

IUPAC2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCCOc1ccc2ccc(OCC)c(/C=N/Nc3nc(C)cc(COC)c3C#N)c2c1
InChIInChI=1S/C24H26N4O3/c1-5-30-19-9-7-17-8-10-23(31-6-2)22(20(17)12-19)14-26-28-24-21(13-25)18(15-29-4)11-16(3)27-24/h7-12,14H,5-6,15H2,1-4H3,(H,27,28)/b26-14+
InChIKeyCRYAVAVYRZMQIX-VULFUBBASA-N
MW418.50 g/mol
LogP4.80
Rot. Bonds9

About 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 126011754) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID126011754
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCCOc1ccc2ccc(OCC)c(/C=N/Nc3nc(C)cc(COC)c3C#N)c2c1
InChIInChI=1S/C24H26N4O3/c1-5-30-19-9-7-17-8-10-23(31-6-2)22(20(17)12-19)14-26-28-24-21(13-25)18(15-29-4)11-16(3)27-24/h7-12,14H,5-6,15H2,1-4H3,(H,27,28)/b26-14+
InChIKeyCRYAVAVYRZMQIX-VULFUBBASA-N
XLogP4.80
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.80
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'}

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Related Compounds

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-[(2Z)-2-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 6158314
2-[(2Z)-2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 6295448
2-[2-[[3-bromo-4-[(2-cyanophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 71820444
2-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3976826
2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135628631
2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 46495705
4-(methoxymethyl)-6-methyl-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile
CID 5188586
2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3894925
2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 4657232
2-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 4537517

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 126011754) is 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is CCOc1ccc2ccc(OCC)c(/C=N/Nc3nc(C)cc(COC)c3C#N)c2c1.
What is the InChIKey of 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is CRYAVAVYRZMQIX-VULFUBBASA-N. The full InChI is InChI=1S/C24H26N4O3/c1-5-30-19-9-7-17-8-10-23(31-6-2)22(20(17)12-19)14-26-28-24-21(13-25)18(15-29-4)11-16(3)27-24/h7-12,14H,5-6,15H2,1-4H3,(H,27,28)/b26-14+.
What are the key properties of 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 418.50 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 126011754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).