3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide

C15H19N3O5 — CID 140649140

IUPAC3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
SMILESCC(C)N1C(=O)c2c(O)c(=O)c(C(N)=O)cn2CC12CC(O)C2
InChIInChI=1S/C15H19N3O5/c1-7(2)18-14(23)10-12(21)11(20)9(13(16)22)5-17(10)6-15(18)3-8(19)4-15/h5,7-8,19,21H,3-4,6H2,1-2H3,(H2,16,22)
InChIKeyMFZJSAGOADBYSS-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.59
Rot. Bonds2

About 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide

3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide (PubChem CID 140649140) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide.

Molecular Properties

Compound Name3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
PubChem CID140649140
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
SMILESCC(C)N1C(=O)c2c(O)c(=O)c(C(N)=O)cn2CC12CC(O)C2
InChIInChI=1S/C15H19N3O5/c1-7(2)18-14(23)10-12(21)11(20)9(13(16)22)5-17(10)6-15(18)3-8(19)4-15/h5,7-8,19,21H,3-4,6H2,1-2H3,(H2,16,22)
InChIKeyMFZJSAGOADBYSS-UHFFFAOYSA-N
XLogP-0.59
TPSA125.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide?
The IUPAC name of 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide (CID 140649140) is 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide.
What is the SMILES notation for 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide?
The canonical SMILES for 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide is CC(C)N1C(=O)c2c(O)c(=O)c(C(N)=O)cn2CC12CC(O)C2.
What is the InChIKey of 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide?
The InChIKey is MFZJSAGOADBYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-7(2)18-14(23)10-12(21)11(20)9(13(16)22)5-17(10)6-15(18)3-8(19)4-15/h5,7-8,19,21H,3-4,6H2,1-2H3,(H2,16,22).
What are the key properties of 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide?
3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide has a molecular weight of 321.33 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3',9-dihydroxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide is sourced from PubChem (CID 140649140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).