N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C19H17N3O3 — CID 17399746

IUPACN-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1
InChIInChI=1S/C19H17N3O3/c1-13-11-17(23)18(21-22(13)15-8-4-3-5-9-15)19(24)20-14-7-6-10-16(12-14)25-2/h3-12H,1-2H3,(H,20,24)
InChIKeyACIKZXZJHLXKJI-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.80
Rot. Bonds4

About N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 17399746) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID17399746
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1
InChIInChI=1S/C19H17N3O3/c1-13-11-17(23)18(21-22(13)15-8-4-3-5-9-15)19(24)20-14-7-6-10-16(12-14)25-2/h3-12H,1-2H3,(H,20,24)
InChIKeyACIKZXZJHLXKJI-UHFFFAOYSA-N
XLogP2.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide
CID 34804471
methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate
CID 34161619
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 26703269
6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8810913
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
CID 46470785
N-[4-(cyanomethyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27163514
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55515849

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 17399746) is N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is COc1cccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is ACIKZXZJHLXKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13-11-17(23)18(21-22(13)15-8-4-3-5-9-15)19(24)20-14-7-6-10-16(12-14)25-2/h3-12H,1-2H3,(H,20,24).
What are the key properties of N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 17399746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).