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

C17H20N4O2 — CID 113049129

IUPACN-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)cc1
InChIInChI=1S/C17H20N4O2/c1-11(22)12-5-7-13(8-6-12)18-14-9-10-15(21-20-14)19-16(23)17(2,3)4/h5-10H,1-4H3,(H,18,20)(H,19,21,23)
InChIKeyDBWQYIFYBGXZLX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.41
Rot. Bonds4

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

N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113049129) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113049129
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)cc1
InChIInChI=1S/C17H20N4O2/c1-11(22)12-5-7-13(8-6-12)18-14-9-10-15(21-20-14)19-16(23)17(2,3)4/h5-10H,1-4H3,(H,18,20)(H,19,21,23)
InChIKeyDBWQYIFYBGXZLX-UHFFFAOYSA-N
XLogP3.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide 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-[6-(3-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049047
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048460
1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
CID 113049173
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
methyl 3-[[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049402
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
CID 113049064

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113049129) is N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is CC(=O)c1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)cc1.
What is the InChIKey of N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is DBWQYIFYBGXZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(22)12-5-7-13(8-6-12)18-14-9-10-15(21-20-14)19-16(23)17(2,3)4/h5-10H,1-4H3,(H,18,20)(H,19,21,23).
What are the key properties of N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 312.37 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 N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113049129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).