N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide

C19H24N4O — CID 113044373

IUPACN-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC3CCCCCC3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-14-8-10-15(11-9-14)19(24)21-18-13-12-17(22-23-18)20-16-6-4-2-3-5-7-16/h8-13,16H,2-7H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyZKEADLXSZGUMDU-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.17
Rot. Bonds4

About N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide

N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide (PubChem CID 113044373) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
PubChem CID113044373
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC3CCCCCC3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-14-8-10-15(11-9-14)19(24)21-18-13-12-17(22-23-18)20-16-6-4-2-3-5-7-16/h8-13,16H,2-7H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyZKEADLXSZGUMDU-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide 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-methylbenzamide
CID 113038053
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697
4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038068
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038059
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038098
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
1-[6-(cyclohexylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113039134
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide?
The IUPAC name of N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide (CID 113044373) is N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(NC3CCCCCC3)nn2)cc1.
What is the InChIKey of N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide?
The InChIKey is ZKEADLXSZGUMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-8-10-15(11-9-14)19(24)21-18-13-12-17(22-23-18)20-16-6-4-2-3-5-7-16/h8-13,16H,2-7H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide?
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide has a molecular weight of 324.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 113044373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).