2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide

C15H16N6O4 — CID 174240263

IUPAC2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide
SMILESC=CC(=O)NC1CCN(c2ncc(C(N)=O)c3[nH]c(=O)c(=O)[nH]c23)C1
InChIInChI=1S/C15H16N6O4/c1-2-9(22)18-7-3-4-21(6-7)13-11-10(8(5-17-13)12(16)23)19-14(24)15(25)20-11/h2,5,7H,1,3-4,6H2,(H2,16,23)(H,18,22)(H,19,24)(H,20,25)
InChIKeyPUTRXPCFUSQFQX-UHFFFAOYSA-N
MW344.33 g/mol
LogP-1.41
Rot. Bonds4

About 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide

2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide (PubChem CID 174240263) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide.

Molecular Properties

Compound Name2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide
PubChem CID174240263
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide
SMILESC=CC(=O)NC1CCN(c2ncc(C(N)=O)c3[nH]c(=O)c(=O)[nH]c23)C1
InChIInChI=1S/C15H16N6O4/c1-2-9(22)18-7-3-4-21(6-7)13-11-10(8(5-17-13)12(16)23)19-14(24)15(25)20-11/h2,5,7H,1,3-4,6H2,(H2,16,23)(H,18,22)(H,19,24)(H,20,25)
InChIKeyPUTRXPCFUSQFQX-UHFFFAOYSA-N
XLogP-1.41
TPSA154.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide?
The IUPAC name of 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide (CID 174240263) is 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide.
What is the SMILES notation for 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide?
The canonical SMILES for 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide is C=CC(=O)NC1CCN(c2ncc(C(N)=O)c3[nH]c(=O)c(=O)[nH]c23)C1.
What is the InChIKey of 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide?
The InChIKey is PUTRXPCFUSQFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4/c1-2-9(22)18-7-3-4-21(6-7)13-11-10(8(5-17-13)12(16)23)19-14(24)15(25)20-11/h2,5,7H,1,3-4,6H2,(H2,16,23)(H,18,22)(H,19,24)(H,20,25).
What are the key properties of 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide?
2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide has a molecular weight of 344.33 g/mol, XLogP of -1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-5-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide is sourced from PubChem (CID 174240263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).