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

C16H20N4O — CID 104671379

IUPACN-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-3-15-13(9-11(2)19-20-15)16(21)18-10-14(17)12-7-5-4-6-8-12/h4-9,14H,3,10,17H2,1-2H3,(H,18,21)
InChIKeyWYFFTMSDKUGLLC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.78
Rot. Bonds5

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

N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104671379) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104671379
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-3-15-13(9-11(2)19-20-15)16(21)18-10-14(17)12-7-5-4-6-8-12/h4-9,14H,3,10,17H2,1-2H3,(H,18,21)
InChIKeyWYFFTMSDKUGLLC-UHFFFAOYSA-N
XLogP1.78
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670448
3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
CID 104625709
N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671658
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 119528404
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806521
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104671379) is N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is WYFFTMSDKUGLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-15-13(9-11(2)19-20-15)16(21)18-10-14(17)12-7-5-4-6-8-12/h4-9,14H,3,10,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104671379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).