2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide

C26H27N5O4 — CID 126015230

IUPAC2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCOCc1cc(C)nc(N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1C#N
InChIInChI=1S/C26H27N5O4/c1-17-6-5-7-21(10-17)30-25(32)16-35-23-9-8-19(12-24(23)34-4)14-28-31-26-22(13-27)20(15-33-3)11-18(2)29-26/h5-12,14H,15-16H2,1-4H3,(H,29,31)(H,30,32)/b28-14-
InChIKeyZCSDRNPRYZWYLK-MUXKCCDJSA-N
MW473.53 g/mol
LogP4.19
Rot. Bonds10

About 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide

2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126015230) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126015230
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCOCc1cc(C)nc(N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1C#N
InChIInChI=1S/C26H27N5O4/c1-17-6-5-7-21(10-17)30-25(32)16-35-23-9-8-19(12-24(23)34-4)14-28-31-26-22(13-27)20(15-33-3)11-18(2)29-26/h5-12,14H,15-16H2,1-4H3,(H,29,31)(H,30,32)/b28-14-
InChIKeyZCSDRNPRYZWYLK-MUXKCCDJSA-N
XLogP4.19
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-[4-(1-adamantyl)phenyl]-2-[4-[(E)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 126011199
2-[4-[(E)-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-nitrophenyl)acetamide
CID 126072276
2-[2-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 40572838
2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 46495705
N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126166310
N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126176148
2-[(2Z)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135641089
4-bromo-N-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012619
4-ethoxy-3-methoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126317421
N-(2,6-dimethylphenyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126277139
2-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3976826
3,4-diethoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126307973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide (CID 126015230) is 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide is COCc1cc(C)nc(N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1C#N.
What is the InChIKey of 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is ZCSDRNPRYZWYLK-MUXKCCDJSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-17-6-5-7-21(10-17)30-25(32)16-35-23-9-8-19(12-24(23)34-4)14-28-31-26-22(13-27)20(15-33-3)11-18(2)29-26/h5-12,14H,15-16H2,1-4H3,(H,29,31)(H,30,32)/b28-14-.
What are the key properties of 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 473.53 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126015230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).