N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

C17H22N4O2 — CID 113048460

IUPACN-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O2/c1-5-23-13-8-6-12(7-9-13)18-14-10-11-15(21-20-14)19-16(22)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyZIUYJJAVJNWPNF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.60
Rot. Bonds5

About N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113048460) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113048460
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)cc1
InChIInChI=1S/C17H22N4O2/c1-5-23-13-8-6-12(7-9-13)18-14-10-11-15(21-20-14)19-16(22)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyZIUYJJAVJNWPNF-UHFFFAOYSA-N
XLogP3.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113048454
N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049129
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide
CID 113048466
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
CID 113034324
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416
N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
CID 113047106

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113048460) is N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is CCOc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)cc1.
What is the InChIKey of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is ZIUYJJAVJNWPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-23-13-8-6-12(7-9-13)18-14-10-11-15(21-20-14)19-16(22)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113048460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).