N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide

C28H27N3O4 — CID 2035296

IUPACN-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(-c3ccc(OC)cc3)c(=O)c(C)nn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C28H27N3O4/c1-17-6-11-22(16-18(17)2)31-27(29-28(33)21-9-14-24(35-5)15-10-21)25(26(32)19(3)30-31)20-7-12-23(34-4)13-8-20/h6-16H,1-5H3,(H,29,33)
InChIKeyOUKOVXZJLJWFFN-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.09
Rot. Bonds6

About N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide

N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide (PubChem CID 2035296) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
PubChem CID2035296
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(-c3ccc(OC)cc3)c(=O)c(C)nn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C28H27N3O4/c1-17-6-11-22(16-18(17)2)31-27(29-28(33)21-9-14-24(35-5)15-10-21)25(26(32)19(3)30-31)20-7-12-23(34-4)13-8-20/h6-16H,1-5H3,(H,29,33)
InChIKeyOUKOVXZJLJWFFN-UHFFFAOYSA-N
XLogP5.09
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2030297
4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
CID 2031982
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3,4-dimethylbenzamide
CID 1316133
5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium
CID 10568626
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
CID 12018678
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-4-methoxybenzamide
CID 16804233
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
4-methoxy-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5111017
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethylbenzamide
CID 108729041
4-(2,5-dimethylpyrrol-1-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7916056
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226
N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033424

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide (CID 2035296) is N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(-c3ccc(OC)cc3)c(=O)c(C)nn2-c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide?
The InChIKey is OUKOVXZJLJWFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-17-6-11-22(16-18(17)2)31-27(29-28(33)21-9-14-24(35-5)15-10-21)25(26(32)19(3)30-31)20-7-12-23(34-4)13-8-20/h6-16H,1-5H3,(H,29,33).
What are the key properties of N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide?
N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide has a molecular weight of 469.54 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 2035296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).