7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide

C17H23N5O3 — CID 118739743

IUPAC7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
SMILESCC(C)NC(=O)N1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1
InChIInChI=1S/C17H23N5O3/c1-12(2)20-16(24)22-7-5-17(11-22)8-14(21-25-17)15(23)19-10-13-4-3-6-18-9-13/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyXCCJMTXLCYHWMT-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.04
Rot. Bonds4

About 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide

7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (PubChem CID 118739743) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
PubChem CID118739743
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
SMILESCC(C)NC(=O)N1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1
InChIInChI=1S/C17H23N5O3/c1-12(2)20-16(24)22-7-5-17(11-22)8-14(21-25-17)15(23)19-10-13-4-3-6-18-9-13/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyXCCJMTXLCYHWMT-UHFFFAOYSA-N
XLogP1.04
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The IUPAC name of 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (CID 118739743) is 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.
What is the SMILES notation for 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The canonical SMILES for 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is CC(C)NC(=O)N1CCC2(CC(C(=O)NCc3cccnc3)=NO2)C1.
What is the InChIKey of 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The InChIKey is XCCJMTXLCYHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12(2)20-16(24)22-7-5-17(11-22)8-14(21-25-17)15(23)19-10-13-4-3-6-18-9-13/h3-4,6,9,12H,5,7-8,10-11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is sourced from PubChem (CID 118739743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).