4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide

C18H22N4O — CID 113038068

IUPAC4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-18(2,3)13-6-4-12(5-7-13)17(23)20-16-11-10-15(21-22-16)19-14-8-9-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyJPLUJZYTSYWUPY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.60
Rot. Bonds4

About 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide

4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide (PubChem CID 113038068) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
PubChem CID113038068
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-18(2,3)13-6-4-12(5-7-13)17(23)20-16-11-10-15(21-22-16)19-14-8-9-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyJPLUJZYTSYWUPY-UHFFFAOYSA-N
XLogP3.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide 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-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038098
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113038053
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038059
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
CID 113039421
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326
N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
CID 113049064
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
2-(4-chlorophenyl)-N-[6-(cyclopropylamino)pyridazin-3-yl]acetamide
CID 113038076

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide (CID 113038068) is 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NC3CC3)nn2)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide?
The InChIKey is JPLUJZYTSYWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,3)13-6-4-12(5-7-13)17(23)20-16-11-10-15(21-22-16)19-14-8-9-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,21)(H,20,22,23).
What are the key properties of 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide?
4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113038068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).