3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide

C17H19ClN4O — CID 113045045

IUPAC3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
SMILESCC1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)nn2)C1
InChIInChI=1S/C17H19ClN4O/c1-12-4-3-9-22(11-12)16-8-7-15(20-21-16)19-17(23)13-5-2-6-14(18)10-13/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,19,20,23)
InChIKeySIRMLGREESOFJT-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.62
Rot. Bonds3

About 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide

3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide (PubChem CID 113045045) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
PubChem CID113045045
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
SMILESCC1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)nn2)C1
InChIInChI=1S/C17H19ClN4O/c1-12-4-3-9-22(11-12)16-8-7-15(20-21-16)19-17(23)13-5-2-6-14(18)10-13/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,19,20,23)
InChIKeySIRMLGREESOFJT-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-chlorobenzoyl)amino]-2-[(3R)-3-methylpiperidin-1-yl]quinoline-4-carboxylic acid
CID 92870043
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
ethyl 4-[6-[(3-chlorobenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043596
2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide
CID 113045043
2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113045122

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide (CID 113045045) is 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide is CC1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)nn2)C1.
What is the InChIKey of 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
The InChIKey is SIRMLGREESOFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-4-3-9-22(11-12)16-8-7-15(20-21-16)19-17(23)13-5-2-6-14(18)10-13/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,19,20,23).
What are the key properties of 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide?
3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113045045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).