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

C15H18N4O — CID 104669073

IUPACN-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C15H18N4O/c1-4-14-12(7-10(3)18-19-14)15(20)17-11-6-5-9(2)13(16)8-11/h5-8H,4,16H2,1-3H3,(H,17,20)
InChIKeyYBPNVZSUAMWVEW-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.49
Rot. Bonds3

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

N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104669073) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104669073
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C15H18N4O/c1-4-14-12(7-10(3)18-19-14)15(20)17-11-6-5-9(2)13(16)8-11/h5-8H,4,16H2,1-3H3,(H,17,20)
InChIKeyYBPNVZSUAMWVEW-UHFFFAOYSA-N
XLogP2.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.49
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-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671325
N-(3-amino-2,6-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669076
N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104757159
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
N-(4-amino-2-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669043
N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623754
N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669063
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
CID 136530773

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104669073) is N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is YBPNVZSUAMWVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-14-12(7-10(3)18-19-14)15(20)17-11-6-5-9(2)13(16)8-11/h5-8H,4,16H2,1-3H3,(H,17,20).
What are the key properties of N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104669073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).