ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate

C16H17N3O2 — CID 57267274

IUPACethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate
SMILESCCOC(=O)C1C(C)=NN=C(C)C1c1ccccc1C#N
InChIInChI=1S/C16H17N3O2/c1-4-21-16(20)15-11(3)19-18-10(2)14(15)13-8-6-5-7-12(13)9-17/h5-8,14-15H,4H2,1-3H3
InChIKeyNSPMGAACMQHWMV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.67
Rot. Bonds3

About ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate

ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate (PubChem CID 57267274) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate
PubChem CID57267274
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Nameethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate
SMILESCCOC(=O)C1C(C)=NN=C(C)C1c1ccccc1C#N
InChIInChI=1S/C16H17N3O2/c1-4-21-16(20)15-11(3)19-18-10(2)14(15)13-8-6-5-7-12(13)9-17/h5-8,14-15H,4H2,1-3H3
InChIKeyNSPMGAACMQHWMV-UHFFFAOYSA-N
XLogP2.67
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate 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

diethyl 6-methyl-4-(2-nitrophenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
CID 57238502
diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 54341007
dimethyl 4-(2-cyanophenyl)-6-formyl-2-methyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 57037509
[2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide
CID 7308437
5-O-ethyl 3-O-propyl 2-amino-4-(2-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70636448
ethyl 4-(2-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 101482687
diethyl 2-(2-cyanophenyl)propanedioate
CID 13050091
2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 57210072
[4-(2-cyanophenyl)-5-decoxycarbonyloxy-2,6-dimethyl-1,4-dihydropyridin-3-yl] ethyl carbonate
CID 70472459
ethyl 5-cyano-4-(2-fluorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CID 2909382
ethyl 2-(2-cyanophenyl)-2-hydroxyacetate
CID 75251664
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 43180301

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate?
The IUPAC name of ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate (CID 57267274) is ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate?
The canonical SMILES for ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate is CCOC(=O)C1C(C)=NN=C(C)C1c1ccccc1C#N.
What is the InChIKey of ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate?
The InChIKey is NSPMGAACMQHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-21-16(20)15-11(3)19-18-10(2)14(15)13-8-6-5-7-12(13)9-17/h5-8,14-15H,4H2,1-3H3.
What are the key properties of ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate?
ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate is sourced from PubChem (CID 57267274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).