4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide

C15H18ClN5O — CID 113039930

IUPAC4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
SMILESCN(C)CCNc1ccc(NC(=O)c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H18ClN5O/c1-21(2)10-9-17-13-7-8-14(20-19-13)18-15(22)11-3-5-12(16)6-4-11/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20,22)
InChIKeyVHFUVRUKKSIYNH-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.36
Rot. Bonds6

About 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide

4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide (PubChem CID 113039930) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
PubChem CID113039930
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
SMILESCN(C)CCNc1ccc(NC(=O)c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H18ClN5O/c1-21(2)10-9-17-13-7-8-14(20-19-13)18-15(22)11-3-5-12(16)6-4-11/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20,22)
InChIKeyVHFUVRUKKSIYNH-UHFFFAOYSA-N
XLogP2.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039920
3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide
CID 113040114
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039881
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907
N-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153838
N-(3-chlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115247
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115325
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137
4-chloro-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]benzamide
CID 113040044
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
CID 113039421

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide (CID 113039930) is 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide is CN(C)CCNc1ccc(NC(=O)c2ccc(Cl)cc2)nn1.
What is the InChIKey of 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide?
The InChIKey is VHFUVRUKKSIYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-21(2)10-9-17-13-7-8-14(20-19-13)18-15(22)11-3-5-12(16)6-4-11/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20,22).
What are the key properties of 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide?
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide has a molecular weight of 319.80 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113039930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).