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

C24H21ClN4O6 — CID 26368110

IUPACmethyl 4-chloro-3-[5-[(Z)-[[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(-c3cc(C(=O)OC)ccc3Cl)o2)c(=O)c1C#N
InChIInChI=1S/C24H21ClN4O6/c1-14-8-16(13-33-2)19(10-26)23(31)29(14)12-22(30)28-27-11-17-5-7-21(35-17)18-9-15(24(32)34-3)4-6-20(18)25/h4-9,11H,12-13H2,1-3H3,(H,28,30)/b27-11-
InChIKeyCZUGUJNTHSFGSD-BCHBDCPOSA-N
MW496.91 g/mol
LogP3.03
Rot. Bonds8

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

methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate (PubChem CID 26368110) has the molecular formula C24H21ClN4O6 and a molecular weight of 496.91 g/mol. Its IUPAC name is methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
PubChem CID26368110
Molecular FormulaC24H21ClN4O6
Molecular Weight496.91 g/mol
Exact Mass496.11
IUPAC Namemethyl 4-chloro-3-[5-[(Z)-[[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(-c3cc(C(=O)OC)ccc3Cl)o2)c(=O)c1C#N
InChIInChI=1S/C24H21ClN4O6/c1-14-8-16(13-33-2)19(10-26)23(31)29(14)12-22(30)28-27-11-17-5-7-21(35-17)18-9-15(24(32)34-3)4-6-20(18)25/h4-9,11H,12-13H2,1-3H3,(H,28,30)/b27-11-
InChIKeyCZUGUJNTHSFGSD-BCHBDCPOSA-N
XLogP3.03
TPSA135.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.91
LogP ≤ 53.03
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'}

Analyze methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[5-[(E)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126011575
methyl 4-chloro-3-[5-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6876376
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
methyl 4-chloro-3-[5-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126002913
methyl 4-chloro-3-[5-[(E)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6876381
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]acetamide
CID 98005129
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 46495734
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
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
methyl 4-chloro-3-[5-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]furan-2-yl]benzoate
CID 4621393

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate?
The IUPAC name of 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) is methyl 4-chloro-3-[5-[(Z)-[[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-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-chloro-3-[5-[(Z)-[[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(-c3cc(C(=O)OC)ccc3Cl)o2)c(=O)c1C#N.
What is the InChIKey of methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate?
The InChIKey is CZUGUJNTHSFGSD-BCHBDCPOSA-N. The full InChI is InChI=1S/C24H21ClN4O6/c1-14-8-16(13-33-2)19(10-26)23(31)29(14)12-22(30)28-27-11-17-5-7-21(35-17)18-9-15(24(32)34-3)4-6-20(18)25/h4-9,11H,12-13H2,1-3H3,(H,28,30)/b27-11-.
What are the key properties of methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate?
methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate has a molecular weight of 496.91 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[5-[(Z)-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate is sourced from PubChem (CID 26368110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).