N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C19H16ClN3O4 — CID 5021434

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1=NN(c2ccc(Cl)cc2)C(=O)CC1
InChIInChI=1S/C19H16ClN3O4/c20-13-2-4-14(5-3-13)23-18(24)8-6-15(22-23)19(25)21-10-12-1-7-16-17(9-12)27-11-26-16/h1-5,7,9H,6,8,10-11H2,(H,21,25)
InChIKeyRTFPNGXQMQMEQY-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.87
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 5021434) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID5021434
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1=NN(c2ccc(Cl)cc2)C(=O)CC1
InChIInChI=1S/C19H16ClN3O4/c20-13-2-4-14(5-3-13)23-18(24)8-6-15(22-23)19(25)21-10-12-1-7-16-17(9-12)27-11-26-16/h1-5,7,9H,6,8,10-11H2,(H,21,25)
InChIKeyRTFPNGXQMQMEQY-UHFFFAOYSA-N
XLogP2.87
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-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'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 10224224
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 4828949
N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323742
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
CID 7385957
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71458576
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391526
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4006341
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924021

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 5021434) is N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1=NN(c2ccc(Cl)cc2)C(=O)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is RTFPNGXQMQMEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c20-13-2-4-14(5-3-13)23-18(24)8-6-15(22-23)19(25)21-10-12-1-7-16-17(9-12)27-11-26-16/h1-5,7,9H,6,8,10-11H2,(H,21,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 385.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 5021434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).