4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one

C14H19N3O4 — CID 58001769

IUPAC4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2c(n1)N(C1COC(C)(C)OC1)C(=O)CN2
InChIInChI=1S/C14H19N3O4/c1-14(2)20-7-9(8-21-14)17-12(18)6-15-10-4-5-11(19-3)16-13(10)17/h4-5,9,15H,6-8H2,1-3H3
InChIKeyTWVBMHBWLQNOAM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.00
Rot. Bonds2

About 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one

4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one (PubChem CID 58001769) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one
PubChem CID58001769
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2c(n1)N(C1COC(C)(C)OC1)C(=O)CN2
InChIInChI=1S/C14H19N3O4/c1-14(2)20-7-9(8-21-14)17-12(18)6-15-10-4-5-11(19-3)16-13(10)17/h4-5,9,15H,6-8H2,1-3H3
InChIKeyTWVBMHBWLQNOAM-UHFFFAOYSA-N
XLogP1.00
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one (CID 58001769) is 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one is COc1ccc2c(n1)N(C1COC(C)(C)OC1)C(=O)CN2.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one?
The InChIKey is TWVBMHBWLQNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2)20-7-9(8-21-14)17-12(18)6-15-10-4-5-11(19-3)16-13(10)17/h4-5,9,15H,6-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one?
4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one has a molecular weight of 293.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 58001769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).