7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C16H20N4O4 — CID 118739463

IUPAC7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCOCC(=O)N1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1
InChIInChI=1S/C16H20N4O4/c1-23-10-14(21)20-6-4-16(11-20)7-13(19-24-16)15(22)18-9-12-3-2-5-17-8-12/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,18,22)
InChIKeyAPQZQEISUWPABS-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.09
Rot. Bonds5

About 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 118739463) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID118739463
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCOCC(=O)N1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1
InChIInChI=1S/C16H20N4O4/c1-23-10-14(21)20-6-4-16(11-20)7-13(19-24-16)15(22)18-9-12-3-2-5-17-8-12/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,18,22)
InChIKeyAPQZQEISUWPABS-UHFFFAOYSA-N
XLogP0.09
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 118739463) is 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is COCC(=O)N1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1.
What is the InChIKey of 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is APQZQEISUWPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-23-10-14(21)20-6-4-16(11-20)7-13(19-24-16)15(22)18-9-12-3-2-5-17-8-12/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,18,22).
What are the key properties of 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 118739463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).