ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate

C15H18N4O2 — CID 113046451

IUPACethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(C)cc(C)c2)nn1
InChIInChI=1S/C15H18N4O2/c1-4-21-15(20)17-14-6-5-13(18-19-14)16-12-8-10(2)7-11(3)9-12/h5-9H,4H2,1-3H3,(H,16,18)(H,17,19,20)
InChIKeyLZJLDAWKUQCEKU-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.41
Rot. Bonds4

About ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate

ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate (PubChem CID 113046451) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
PubChem CID113046451
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(C)cc(C)c2)nn1
InChIInChI=1S/C15H18N4O2/c1-4-21-15(20)17-14-6-5-13(18-19-14)16-12-8-10(2)7-11(3)9-12/h5-9H,4H2,1-3H3,(H,16,18)(H,17,19,20)
InChIKeyLZJLDAWKUQCEKU-UHFFFAOYSA-N
XLogP3.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate 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

ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113050137
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
CID 113044300
ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate
CID 113049859
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127759
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate
CID 113050861
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113046423
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate (CID 113046451) is ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate is CCOC(=O)Nc1ccc(Nc2cc(C)cc(C)c2)nn1.
What is the InChIKey of ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate?
The InChIKey is LZJLDAWKUQCEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-21-15(20)17-14-6-5-13(18-19-14)16-12-8-10(2)7-11(3)9-12/h5-9H,4H2,1-3H3,(H,16,18)(H,17,19,20).
What are the key properties of ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate?
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate has a molecular weight of 286.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113046451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).