methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate

C24H22N4O6 — CID 126011575

IUPACmethyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
SMILESCOCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(=O)c1C#N
InChIInChI=1S/C24H22N4O6/c1-15-10-18(14-32-2)20(11-25)23(30)28(15)13-22(29)27-26-12-19-8-9-21(34-19)16-4-6-17(7-5-16)24(31)33-3/h4-10,12H,13-14H2,1-3H3,(H,27,29)/b26-12+
InChIKeyBUMRACJWMPBLSS-RPPGKUMJSA-N
MW462.46 g/mol
LogP2.37
Rot. Bonds8

About methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate

methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate (PubChem CID 126011575) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
PubChem CID126011575
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Namemethyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
SMILESCOCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(=O)c1C#N
InChIInChI=1S/C24H22N4O6/c1-15-10-18(14-32-2)20(11-25)23(30)28(15)13-22(29)27-26-12-19-8-9-21(34-19)16-4-6-17(7-5-16)24(31)33-3/h4-10,12H,13-14H2,1-3H3,(H,27,29)/b26-12+
InChIKeyBUMRACJWMPBLSS-RPPGKUMJSA-N
XLogP2.37
TPSA135.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 26368110
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 91970293
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 75123844
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 5437217
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 98710372
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 75123791
methyl 4-[5-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126237213
methyl 4-[5-[(Z)-[[2-(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126089064
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 136700931
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 126003224
ethyl 4-[5-[(Z)-[[2-(2,5-dimethylphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126370415
methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 5457786

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate (CID 126011575) is methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate is COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(=O)c1C#N.
What is the InChIKey of methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate?
The InChIKey is BUMRACJWMPBLSS-RPPGKUMJSA-N. The full InChI is InChI=1S/C24H22N4O6/c1-15-10-18(14-32-2)20(11-25)23(30)28(15)13-22(29)27-26-12-19-8-9-21(34-19)16-4-6-17(7-5-16)24(31)33-3/h4-10,12H,13-14H2,1-3H3,(H,27,29)/b26-12+.
What are the key properties of methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate?
methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate has a molecular weight of 462.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate is sourced from PubChem (CID 126011575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).