methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate

C13H19N3O3 — CID 104624340

IUPACmethyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
SMILESCCc1nnc(C)cc1C(=O)N(CC)CC(=O)OC
InChIInChI=1S/C13H19N3O3/c1-5-11-10(7-9(3)14-15-11)13(18)16(6-2)8-12(17)19-4/h7H,5-6,8H2,1-4H3
InChIKeyDQKJWGLSKIPXJR-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.98
Rot. Bonds5

About methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate

methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate (PubChem CID 104624340) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
PubChem CID104624340
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
SMILESCCc1nnc(C)cc1C(=O)N(CC)CC(=O)OC
InChIInChI=1S/C13H19N3O3/c1-5-11-10(7-9(3)14-15-11)13(18)16(6-2)8-12(17)19-4/h7H,5-6,8H2,1-4H3
InChIKeyDQKJWGLSKIPXJR-UHFFFAOYSA-N
XLogP0.98
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate 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

3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
CID 104669492
3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104625733
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488
N-(2-chloroethyl)-3-ethyl-6-methyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672454
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104672507
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107493584
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate (CID 104624340) is methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate is CCc1nnc(C)cc1C(=O)N(CC)CC(=O)OC.
What is the InChIKey of methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate?
The InChIKey is DQKJWGLSKIPXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-11-10(7-9(3)14-15-11)13(18)16(6-2)8-12(17)19-4/h7H,5-6,8H2,1-4H3.
What are the key properties of methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate?
methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate has a molecular weight of 265.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate is sourced from PubChem (CID 104624340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).