N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide

C14H16N4O2 — CID 104669026

IUPACN-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nnc2C)c(N)c1
InChIInChI=1S/C14H16N4O2/c1-8-6-11(9(2)18-17-8)14(19)16-13-5-4-10(20-3)7-12(13)15/h4-7H,15H2,1-3H3,(H,16,19)
InChIKeyVEOXTKQUEUPRTB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104669026) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104669026
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nnc2C)c(N)c1
InChIInChI=1S/C14H16N4O2/c1-8-6-11(9(2)18-17-8)14(19)16-13-5-4-10(20-3)7-12(13)15/h4-7H,15H2,1-3H3,(H,16,19)
InChIKeyVEOXTKQUEUPRTB-UHFFFAOYSA-N
XLogP1.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 167958451
3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-methylpyridazine-4-carboxamide
CID 178362732
N-[2-(isobutyrylamino)-4-methoxyphenyl]-3-isopropyl-1H-pyrazole-5-carboxamide
CID 50985154
N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 102037652
N-(4-Methoxy-2-nitrophenyl)-3,6-dichloro-4-pyridazinecarboxamide
CID 13456256
N-(2-amino-4-methoxyphenyl)-3,6-dichloropyridazine-4-carboxamide
CID 17961951
3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane
CID 142256732
N-(2-amino-4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742291
N-(2-amino-4-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776761
N-(2-acetamido-5-methoxyphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 56034123
N-(2-acetamido-5-methoxyphenyl)-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56034378

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104669026) is N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nnc2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is VEOXTKQUEUPRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-6-11(9(2)18-17-8)14(19)16-13-5-4-10(20-3)7-12(13)15/h4-7H,15H2,1-3H3,(H,16,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104669026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).