4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione

C15H17N3O4 — CID 142646601

IUPAC4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
SMILESCc1cncc(N2CCN(C)CC23OC(=O)C=CC(=O)O3)c1
InChIInChI=1S/C15H17N3O4/c1-11-7-12(9-16-8-11)18-6-5-17(2)10-15(18)21-13(19)3-4-14(20)22-15/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyXKXRWGFPWKXHCZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.45
Rot. Bonds1

About 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione

4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione (PubChem CID 142646601) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
PubChem CID142646601
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
SMILESCc1cncc(N2CCN(C)CC23OC(=O)C=CC(=O)O3)c1
InChIInChI=1S/C15H17N3O4/c1-11-7-12(9-16-8-11)18-6-5-17(2)10-15(18)21-13(19)3-4-14(20)22-15/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyXKXRWGFPWKXHCZ-UHFFFAOYSA-N
XLogP0.45
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione with MolForge

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Related Compounds

4-methyl-1-pyridin-3-yl-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
CID 141008764
12-methyl-8-[5-[(E)-prop-1-enoxy]-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione
CID 141008750
1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione
CID 107585791
3-methyl-5-pyrrolidin-1-ylpyridine
CID 89217825
3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one
CID 107586843
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine
CID 102881009
3-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)-1,4-diazepane
CID 107586903
2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one
CID 90115770
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 143962339
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-4-amine
CID 107585701
N-ethyl-1-(5-methyl-3-pyridinyl)piperidin-4-amine
CID 107585707
4-[3-(5-methyl-3-pyridinyl)propyl]morpholine
CID 70853506

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The IUPAC name of 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione (CID 142646601) is 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione.
What is the SMILES notation for 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The canonical SMILES for 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione is Cc1cncc(N2CCN(C)CC23OC(=O)C=CC(=O)O3)c1.
What is the InChIKey of 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The InChIKey is XKXRWGFPWKXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-11-7-12(9-16-8-11)18-6-5-17(2)10-15(18)21-13(19)3-4-14(20)22-15/h3-4,7-9H,5-6,10H2,1-2H3.
What are the key properties of 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione has a molecular weight of 303.32 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione is sourced from PubChem (CID 142646601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).