1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide

C21H20ClN3O2 — CID 18114358

IUPAC1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1
InChIInChI=1S/C21H20ClN3O2/c1-14-4-6-16(7-5-14)13-24(3)21(27)20-19(26)12-15(2)25(23-20)18-10-8-17(22)9-11-18/h4-12H,13H2,1-3H3
InChIKeyPWUQLAPNLZXWOK-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.77
Rot. Bonds4

About 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide (PubChem CID 18114358) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide
PubChem CID18114358
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1
InChIInChI=1S/C21H20ClN3O2/c1-14-4-6-16(7-5-14)13-24(3)21(27)20-19(26)12-15(2)25(23-20)18-10-8-17(22)9-11-18/h4-12H,13H2,1-3H3
InChIKeyPWUQLAPNLZXWOK-UHFFFAOYSA-N
XLogP3.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide
CID 24503369
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 18114180
1-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18198033
N-[(4-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55395584
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 27805528
1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 111698157
1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide
CID 46470151
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 18117326
N-[2-(3-chloroanilino)-2-oxoethyl]-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 33287591
N-[(4-ethylphenyl)methyl]-N,6-dimethyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 46628189

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide (CID 18114358) is 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide is Cc1ccc(CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide?
The InChIKey is PWUQLAPNLZXWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-4-6-16(7-5-14)13-24(3)21(27)20-19(26)12-15(2)25(23-20)18-10-8-17(22)9-11-18/h4-12H,13H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18114358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).