4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C15H11N3O4 — CID 75463371

IUPAC4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESO=C1CN(C(=O)c2cccc3c2OCO3)c2ncccc2N1
InChIInChI=1S/C15H11N3O4/c19-12-7-18(14-10(17-12)4-2-6-16-14)15(20)9-3-1-5-11-13(9)22-8-21-11/h1-6H,7-8H2,(H,17,19)
InChIKeyDLVIOXDOLVOKEQ-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.41
Rot. Bonds1

About 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 75463371) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID75463371
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESO=C1CN(C(=O)c2cccc3c2OCO3)c2ncccc2N1
InChIInChI=1S/C15H11N3O4/c19-12-7-18(14-10(17-12)4-2-6-16-14)15(20)9-3-1-5-11-13(9)22-8-21-11/h1-6H,7-8H2,(H,17,19)
InChIKeyDLVIOXDOLVOKEQ-UHFFFAOYSA-N
XLogP1.41
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 75463371) is 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is O=C1CN(C(=O)c2cccc3c2OCO3)c2ncccc2N1.
What is the InChIKey of 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is DLVIOXDOLVOKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-12-7-18(14-10(17-12)4-2-6-16-14)15(20)9-3-1-5-11-13(9)22-8-21-11/h1-6H,7-8H2,(H,17,19).
What are the key properties of 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 297.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxole-4-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 75463371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).