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

C15H18N4O2 — CID 104671325

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

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

N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104671325) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104671325
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C15H18N4O2/c1-4-13-11(7-9(2)18-19-13)15(20)17-10-5-6-12(16)14(8-10)21-3/h5-8H,4,16H2,1-3H3,(H,17,20)
InChIKeyKQUWULJPLCTQJG-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-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
N-(3-amino-2,6-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669076
N-(4-amino-3-methoxyphenyl)-2-ethoxybenzamide
CID 61239481
N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623754
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104757159
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(4-amino-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736650
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104671325) is N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(N)c(OC)c1.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is KQUWULJPLCTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-13-11(7-9(2)18-19-13)15(20)17-10-5-6-12(16)14(8-10)21-3/h5-8H,4,16H2,1-3H3,(H,17,20).
What are the key properties of N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(4-amino-3-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-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104671325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).