[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone

C18H22N4O — CID 109112719

IUPAC[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCCN(c1ccccc1)c1ccc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C18H22N4O/c1-2-22(15-9-5-3-6-10-15)17-12-11-16(19-20-17)18(23)21-13-7-4-8-14-21/h3,5-6,9-12H,2,4,7-8,13-14H2,1H3
InChIKeyJEEIBGYAUPQHAT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.26
Rot. Bonds4

About [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone

[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 109112719) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
PubChem CID109112719
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCCN(c1ccccc1)c1ccc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C18H22N4O/c1-2-22(15-9-5-3-6-10-15)17-12-11-16(19-20-17)18(23)21-13-7-4-8-14-21/h3,5-6,9-12H,2,4,7-8,13-14H2,1H3
InChIKeyJEEIBGYAUPQHAT-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116999
[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274357
azepan-1-yl-[6-(diethylamino)pyridazin-3-yl]methanone
CID 109124285
[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114792
ethyl 4-[6-(N-ethyl-3-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123908
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114694
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
6-(N-ethylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115714
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204542
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918

Frequently Asked Questions

What is the IUPAC name of [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone (CID 109112719) is [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone is CCN(c1ccccc1)c1ccc(C(=O)N2CCCCC2)nn1.
What is the InChIKey of [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is JEEIBGYAUPQHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-22(15-9-5-3-6-10-15)17-12-11-16(19-20-17)18(23)21-13-7-4-8-14-21/h3,5-6,9-12H,2,4,7-8,13-14H2,1H3.
What are the key properties of [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109112719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).