1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide

C23H22ClN3O3 — CID 24503369

IUPAC1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1
InChIInChI=1S/C23H22ClN3O3/c1-4-13-30-20-11-5-17(6-12-20)15-26(3)23(29)22-21(28)14-16(2)27(25-22)19-9-7-18(24)8-10-19/h4-12,14H,1,13,15H2,2-3H3
InChIKeyOTYUOMQJVDFCOM-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.03
Rot. Bonds7

About 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide

1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 24503369) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID24503369
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1
InChIInChI=1S/C23H22ClN3O3/c1-4-13-30-20-11-5-17(6-12-20)15-26(3)23(29)22-21(28)14-16(2)27(25-22)19-9-7-18(24)8-10-19/h4-12,14H,1,13,15H2,2-3H3
InChIKeyOTYUOMQJVDFCOM-UHFFFAOYSA-N
XLogP4.03
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(3-(4-ethoxyphenyl)-6-oxopyridazin-1(6H)-yl)butanamide
CID 16885559
N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 177379530
4-(4-Chlorophenyl)piperazinyl 4-ethoxyphenyl ketone
CID 896957
(4E)-4-{[4-(Benzyloxy)phenyl]methylidene}-1-(3,4-dichlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 5712996
N-(2-chlorophenyl)-4-(3-(4-ethoxyphenyl)-6-oxopyridazin-1(6H)-yl)butanamide
CID 16885560
(4E)-2-(3-chlorophenyl)-4-{4-[(2-fluorobenzyl)oxy]benzylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 5292078
1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
CID 17543610
2-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 76324248
1-(4-Chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one
CID 67151117
2-[2-(N-[(E)-butylideneamino]-4-chloro-2-fluoroanilino)-3-methylbut-2-enyl]-5-(4-methoxyphenyl)pyridazin-3-one
CID 157046487
2-(4-chlorophenyl)-5-(4-methoxybenzyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 37967198
2-(4-Chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 3591982

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide (CID 24503369) is 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide is C=CCOc1ccc(CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is OTYUOMQJVDFCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-4-13-30-20-11-5-17(6-12-20)15-26(3)23(29)22-21(28)14-16(2)27(25-22)19-9-7-18(24)8-10-19/h4-12,14H,1,13,15H2,2-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide?
1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 24503369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).