N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C15H18N4O2 — CID 104669028

IUPACN-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C15H18N4O2/c1-4-13-11(7-9(2)18-19-13)15(20)17-14-6-5-10(21-3)8-12(14)16/h5-8H,4,16H2,1-3H3,(H,17,20)
InChIKeyXHUGVRJJZYOTSM-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.19
Rot. Bonds4

About N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104669028) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104669028
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C15H18N4O2/c1-4-13-11(7-9(2)18-19-13)15(20)17-14-6-5-10(21-3)8-12(14)16/h5-8H,4,16H2,1-3H3,(H,17,20)
InChIKeyXHUGVRJJZYOTSM-UHFFFAOYSA-N
XLogP2.19
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.19
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

N-(2-acetamido-5-methoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 75420468
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-aminophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 10172348
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)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 56033101

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104669028) is N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(OC)cc1N.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is XHUGVRJJZYOTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-13-11(7-9(2)18-19-13)15(20)17-14-6-5-10(21-3)8-12(14)16/h5-8H,4,16H2,1-3H3,(H,17,20).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.19, 4 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-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104669028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).