N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide

C17H22N4O4 — CID 97471475

IUPACN-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C17H22N4O4/c1-13(22)19-10-15(23)20-7-4-17(5-8-20)12-21(16(24)11-25-17)14-3-2-6-18-9-14/h2-3,6,9H,4-5,7-8,10-12H2,1H3,(H,19,22)
InChIKeyPJFOFVUABZQBID-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.06
Rot. Bonds3

About N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide

N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide (PubChem CID 97471475) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide
PubChem CID97471475
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C17H22N4O4/c1-13(22)19-10-15(23)20-7-4-17(5-8-20)12-21(16(24)11-25-17)14-3-2-6-18-9-14/h2-3,6,9H,4-5,7-8,10-12H2,1H3,(H,19,22)
InChIKeyPJFOFVUABZQBID-UHFFFAOYSA-N
XLogP-0.06
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide (CID 97471475) is N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide is CC(=O)NCC(=O)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2.
What is the InChIKey of N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide?
The InChIKey is PJFOFVUABZQBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-13(22)19-10-15(23)20-7-4-17(5-8-20)12-21(16(24)11-25-17)14-3-2-6-18-9-14/h2-3,6,9H,4-5,7-8,10-12H2,1H3,(H,19,22).
What are the key properties of N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide?
N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide has a molecular weight of 346.39 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-oxo-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]acetamide is sourced from PubChem (CID 97471475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).