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

C17H24N4O2 — CID 118739457

IUPAC7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)CN1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1
InChIInChI=1S/C17H24N4O2/c1-13(2)11-21-7-5-17(12-21)8-15(20-23-17)16(22)19-10-14-4-3-6-18-9-14/h3-4,6,9,13H,5,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyOHXBJHMTAQQFMU-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.57
Rot. Bonds5

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

7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 118739457) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID118739457
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)CN1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1
InChIInChI=1S/C17H24N4O2/c1-13(2)11-21-7-5-17(12-21)8-15(20-23-17)16(22)19-10-14-4-3-6-18-9-14/h3-4,6,9,13H,5,7-8,10-12H2,1-2H3,(H,19,22)
InChIKeyOHXBJHMTAQQFMU-UHFFFAOYSA-N
XLogP1.57
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 118739457) is 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(C)CN1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1.
What is the InChIKey of 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is OHXBJHMTAQQFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)11-21-7-5-17(12-21)8-15(20-23-17)16(22)19-10-14-4-3-6-18-9-14/h3-4,6,9,13H,5,7-8,10-12H2,1-2H3,(H,19,22).
What are the key properties of 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 118739457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).