ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate

C14H21N3O2 — CID 121206169

IUPACethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCCC2CC)nn1
InChIInChI=1S/C14H21N3O2/c1-3-11-7-5-6-10-17(11)13-9-8-12(15-16-13)14(18)19-4-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyXNOOMNZLLGFSFQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds4

About ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate

ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate (PubChem CID 121206169) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
PubChem CID121206169
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCCC2CC)nn1
InChIInChI=1S/C14H21N3O2/c1-3-11-7-5-6-10-17(11)13-9-8-12(15-16-13)14(18)19-4-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyXNOOMNZLLGFSFQ-UHFFFAOYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
CID 108773397
6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
CID 116640255
N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
6-(2-ethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109125855
N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109120599
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125114
6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109125838
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate (CID 121206169) is ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate is CCOC(=O)c1ccc(N2CCCCC2CC)nn1.
What is the InChIKey of ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate?
The InChIKey is XNOOMNZLLGFSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-11-7-5-6-10-17(11)13-9-8-12(15-16-13)14(18)19-4-2/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate?
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 121206169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).