2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide

C16H17ClN4O — CID 113038860

IUPAC2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CCCC2)nn1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O/c17-13-8-4-3-7-12(13)16(22)19-15-10-9-14(20-21-15)18-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,18,20)(H,19,21,22)
InChIKeyHFBBGPGFOKKNPF-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.74
Rot. Bonds4

About 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide

2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide (PubChem CID 113038860) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
PubChem CID113038860
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CCCC2)nn1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O/c17-13-8-4-3-7-12(13)16(22)19-15-10-9-14(20-21-15)18-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,18,20)(H,19,21,22)
InChIKeyHFBBGPGFOKKNPF-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[6-(cyclopentylamino)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-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
CID 113038878
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
2-chloro-N-cyclopentylbenzamide
CID 669043
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
N-[6-(cyclopentylamino)pyridazin-3-yl]-2,2-diphenylacetamide
CID 113038844
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide (CID 113038860) is 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NC2CCCC2)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide?
The InChIKey is HFBBGPGFOKKNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-8-4-3-7-12(13)16(22)19-15-10-9-14(20-21-15)18-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,18,20)(H,19,21,22).
What are the key properties of 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide?
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113038860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).