4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione

C14H15N3O4 — CID 141008764

IUPAC4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
SMILESCN1CCN(c2cccnc2)C2(C1)OC(=O)C=CC(=O)O2
InChIInChI=1S/C14H15N3O4/c1-16-7-8-17(11-3-2-6-15-9-11)14(10-16)20-12(18)4-5-13(19)21-14/h2-6,9H,7-8,10H2,1H3
InChIKeyCKGFNFONKOWMPN-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.14
Rot. Bonds1

About 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione

4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione (PubChem CID 141008764) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione.

Molecular Properties

Compound Name4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
PubChem CID141008764
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
SMILESCN1CCN(c2cccnc2)C2(C1)OC(=O)C=CC(=O)O2
InChIInChI=1S/C14H15N3O4/c1-16-7-8-17(11-3-2-6-15-9-11)14(10-16)20-12(18)4-5-13(19)21-14/h2-6,9H,7-8,10H2,1H3
InChIKeyCKGFNFONKOWMPN-UHFFFAOYSA-N
XLogP0.14
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The IUPAC name of 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione (CID 141008764) is 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione.
What is the SMILES notation for 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The canonical SMILES for 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione is CN1CCN(c2cccnc2)C2(C1)OC(=O)C=CC(=O)O2.
What is the InChIKey of 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The InChIKey is CKGFNFONKOWMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16-7-8-17(11-3-2-6-15-9-11)14(10-16)20-12(18)4-5-13(19)21-14/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione has a molecular weight of 289.29 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione is sourced from PubChem (CID 141008764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).