ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate

C20H27N3O3 — CID 70736810

IUPACethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)n1
InChIInChI=1S/C20H27N3O3/c1-2-26-19(25)16-5-3-6-17(21-16)22-12-4-10-20(13-22)11-9-18(24)23(14-20)15-7-8-15/h3,5-6,15H,2,4,7-14H2,1H3
InChIKeyQTOYYIWXOUNQBT-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.63
Rot. Bonds4

About ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate

ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate (PubChem CID 70736810) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate
PubChem CID70736810
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nameethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)n1
InChIInChI=1S/C20H27N3O3/c1-2-26-19(25)16-5-3-6-17(21-16)22-12-4-10-20(13-22)11-9-18(24)23(14-20)15-7-8-15/h3,5-6,15H,2,4,7-14H2,1H3
InChIKeyQTOYYIWXOUNQBT-UHFFFAOYSA-N
XLogP2.63
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate (CID 70736810) is ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate is CCOC(=O)c1cccc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)n1.
What is the InChIKey of ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate?
The InChIKey is QTOYYIWXOUNQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-26-19(25)16-5-3-6-17(21-16)22-12-4-10-20(13-22)11-9-18(24)23(14-20)15-7-8-15/h3,5-6,15H,2,4,7-14H2,1H3.
What are the key properties of ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate?
ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carboxylate is sourced from PubChem (CID 70736810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).