N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C16H20N4O — CID 104757159

IUPACN-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1cc(N)c(C)cc1C
InChIInChI=1S/C16H20N4O/c1-5-14-12(7-11(4)19-20-14)16(21)18-15-8-13(17)9(2)6-10(15)3/h6-8H,5,17H2,1-4H3,(H,18,21)
InChIKeyQAENQGHUMQUMAP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds3

About N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104757159) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104757159
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1cc(N)c(C)cc1C
InChIInChI=1S/C16H20N4O/c1-5-14-12(7-11(4)19-20-14)16(21)18-15-8-13(17)9(2)6-10(15)3/h6-8H,5,17H2,1-4H3,(H,18,21)
InChIKeyQAENQGHUMQUMAP-UHFFFAOYSA-N
XLogP2.80
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669043
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073
N-(3-amino-2,6-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669076
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624333
N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669267
N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 136905898
N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671325
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624513
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104757159) is N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1cc(N)c(C)cc1C.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is QAENQGHUMQUMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-5-14-12(7-11(4)19-20-14)16(21)18-15-8-13(17)9(2)6-10(15)3/h6-8H,5,17H2,1-4H3,(H,18,21).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104757159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).