ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate

C19H24N4O3 — CID 156502461

IUPACethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3cccnc3OCC)nn2)CCNCC1
InChIInChI=1S/C19H24N4O3/c1-3-25-17-14(6-5-11-21-17)15-7-8-16(23-22-15)19(18(24)26-4-2)9-12-20-13-10-19/h5-8,11,20H,3-4,9-10,12-13H2,1-2H3
InChIKeyNLZNFPYOCWVXMO-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.12
Rot. Bonds6

About ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate

ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate (PubChem CID 156502461) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate
PubChem CID156502461
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3cccnc3OCC)nn2)CCNCC1
InChIInChI=1S/C19H24N4O3/c1-3-25-17-14(6-5-11-21-17)15-7-8-16(23-22-15)19(18(24)26-4-2)9-12-20-13-10-19/h5-8,11,20H,3-4,9-10,12-13H2,1-2H3
InChIKeyNLZNFPYOCWVXMO-UHFFFAOYSA-N
XLogP2.12
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate (CID 156502461) is ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate is CCOC(=O)C1(c2ccc(-c3cccnc3OCC)nn2)CCNCC1.
What is the InChIKey of ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate?
The InChIKey is NLZNFPYOCWVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-25-17-14(6-5-11-21-17)15-7-8-16(23-22-15)19(18(24)26-4-2)9-12-20-13-10-19/h5-8,11,20H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate?
ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 156502461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).