[6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

C17H19ClN4O — CID 46226042

IUPAC[6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)C1
InChIInChI=1S/C17H19ClN4O/c1-12-3-2-10-22(11-12)17(23)15-8-9-16(21-20-15)19-14-6-4-13(18)5-7-14/h4-9,12H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyPLTCCMAGILPQDB-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.75
Rot. Bonds3

About [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

[6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 46226042) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID46226042
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name[6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)C1
InChIInChI=1S/C17H19ClN4O/c1-12-3-2-10-22(11-12)17(23)15-8-9-16(21-20-15)19-14-6-4-13(18)5-7-14/h4-9,12H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyPLTCCMAGILPQDB-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2,5-Dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid (2-cyclopropylethyl)amide
CID 11408261
6-[4-(2-CHLORO-5-FLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11453250
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CHLOROPHENYL)AMIDE
CID 16035003
3-chloro-N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)benzamide
CID 7422421
N-(2-adamantyl)-6-(3-chloroanilino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463767
(4-Chlorophenyl)(4-(6-methylpyridazin-3-yl)piperazin-1-yl)methanone
CID 46912172
6-[4-(2-CHLORO-5-DIMETHYLAMINOBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11248086
N-(2-adamantyl)-6-(3-chloroanilino)-5-propan-2-ylpyridazine-3-carboxamide
CID 141463737
3-chloro-N-{2-[(6-methylpyridazin-3-yl)amino]ethyl}benzamide
CID 44118014
(3-(4-chlorophenylamino)-1H-pyrazol-5-yl)(3-methylpiperidin-1-yl)methanone
CID 46226046
(4-Chloro-2-fluorophenyl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 53616532
(2-Chloro-4-fluorophenyl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 53617463

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 46226042) is [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)C1.
What is the InChIKey of [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PLTCCMAGILPQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-3-2-10-22(11-12)17(23)15-8-9-16(21-20-15)19-14-6-4-13(18)5-7-14/h4-9,12H,2-3,10-11H2,1H3,(H,19,21).
What are the key properties of [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 330.82 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46226042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).