1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C22H22ClN3O4 — CID 27676187

IUPAC1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1
InChIInChI=1S/C22H22ClN3O4/c1-4-29-17-10-11-20(30-5-2)18(13-17)24-22(28)21-19(27)12-14(3)26(25-21)16-8-6-15(23)7-9-16/h6-13H,4-5H2,1-3H3,(H,24,28)
InChIKeyCHGOJYGTCVALIA-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.24
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 27676187) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID27676187
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1
InChIInChI=1S/C22H22ClN3O4/c1-4-29-17-10-11-20(30-5-2)18(13-17)24-22(28)21-19(27)12-14(3)26(25-21)16-8-6-15(23)7-9-16/h6-13H,4-5H2,1-3H3,(H,24,28)
InChIKeyCHGOJYGTCVALIA-UHFFFAOYSA-N
XLogP4.24
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27674757
1-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8530886
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 25441787
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 27966034
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
methyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-2,4-difluorobenzoate
CID 24659358
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
dimethyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 27667598
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46458084
1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668806

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 27676187) is 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is CHGOJYGTCVALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-4-29-17-10-11-20(30-5-2)18(13-17)24-22(28)21-19(27)12-14(3)26(25-21)16-8-6-15(23)7-9-16/h6-13H,4-5H2,1-3H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27676187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).