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

C19H24N4O2 — CID 109126078

IUPAC[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc(Nc2ccc(C(=O)N3CCCC(C)C3)nn2)cc1
InChIInChI=1S/C19H24N4O2/c1-3-25-16-8-6-15(7-9-16)20-18-11-10-17(21-22-18)19(24)23-12-4-5-14(2)13-23/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,22)
InChIKeyAXHPZXYLRYZBCB-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.49
Rot. Bonds5

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

[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109126078) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109126078
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc(Nc2ccc(C(=O)N3CCCC(C)C3)nn2)cc1
InChIInChI=1S/C19H24N4O2/c1-3-25-16-8-6-15(7-9-16)20-18-11-10-17(21-22-18)19(24)23-12-4-5-14(2)13-23/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,22)
InChIKeyAXHPZXYLRYZBCB-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126053
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126136
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092
[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126106
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342436
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 112847398
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126067

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 109126078) is [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is CCOc1ccc(Nc2ccc(C(=O)N3CCCC(C)C3)nn2)cc1.
What is the InChIKey of [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is AXHPZXYLRYZBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-25-16-8-6-15(7-9-16)20-18-11-10-17(21-22-18)19(24)23-12-4-5-14(2)13-23/h6-11,14H,3-5,12-13H2,1-2H3,(H,20,22).
What are the key properties of [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109126078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).