N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide

C14H15N3O2 — CID 102037652

IUPACN-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nnc2C)cc1
InChIInChI=1S/C14H15N3O2/c1-9-8-13(10(2)17-16-9)14(18)15-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,15,18)
InChIKeyWJDGFASJDIKQNT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.35
Rot. Bonds3

About N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 102037652) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID102037652
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nnc2C)cc1
InChIInChI=1S/C14H15N3O2/c1-9-8-13(10(2)17-16-9)14(18)15-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,15,18)
InChIKeyWJDGFASJDIKQNT-UHFFFAOYSA-N
XLogP2.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 5297390
3,6-dichloro-N-(2-methoxyphenyl)pyridazine-4-carboxamide
CID 6401431
3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
N-(4-methoxyphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811267
N-(4-Methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 5093672
3-Pyridinecarboxamide, N-(4-methoxyphenyl)-2-methyl-
CID 3022120
4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593565
6-(4-Methoxyanilino)phthalazine-5,8-dione
CID 16739292
1,3,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 19281518
N-(4-ethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281538
6-methoxy-N-(4-(trifluoromethyl)phenyl)pyridazine-3-carboxamide
CID 56724386
N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 134800715

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 102037652) is N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nnc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is WJDGFASJDIKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-8-13(10(2)17-16-9)14(18)15-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,15,18).
What are the key properties of N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 102037652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).