3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide

C14H12Cl2N4O — CID 113038199

IUPAC3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-7-17-12-5-6-13(20-19-12)18-14(21)9-3-4-10(15)11(16)8-9/h2-6,8H,1,7H2,(H,17,19)(H,18,20,21)
InChIKeyAWCBCCYKUIIMCC-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.63
Rot. Bonds5

About 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide

3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide (PubChem CID 113038199) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
PubChem CID113038199
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-7-17-12-5-6-13(20-19-12)18-14(21)9-3-4-10(15)11(16)8-9/h2-6,8H,1,7H2,(H,17,19)(H,18,20,21)
InChIKeyAWCBCCYKUIIMCC-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide
CID 113040114
N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110366
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
CID 113038178
2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide
CID 113038209
N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
CID 113038177
3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051727
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110369
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110326
3,4-dichloro-N-(2-ethenyltetrazol-5-yl)benzamide
CID 17162644
3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177274

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide (CID 113038199) is 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide is C=CCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide?
The InChIKey is AWCBCCYKUIIMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-2-7-17-12-5-6-13(20-19-12)18-14(21)9-3-4-10(15)11(16)8-9/h2-6,8H,1,7H2,(H,17,19)(H,18,20,21).
What are the key properties of 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide?
3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide has a molecular weight of 323.18 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113038199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).