2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C20H23N5O — CID 166600557

IUPAC2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESC=CCNC(=O)N1CC2CN(c3cnc(-c4ccccc4)cn3)CC2C1
InChIInChI=1S/C20H23N5O/c1-2-8-21-20(26)25-13-16-11-24(12-17(16)14-25)19-10-22-18(9-23-19)15-6-4-3-5-7-15/h2-7,9-10,16-17H,1,8,11-14H2,(H,21,26)
InChIKeyDJBYLJSGPJUKBG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.41
Rot. Bonds4

About 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 166600557) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID166600557
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESC=CCNC(=O)N1CC2CN(c3cnc(-c4ccccc4)cn3)CC2C1
InChIInChI=1S/C20H23N5O/c1-2-8-21-20(26)25-13-16-11-24(12-17(16)14-25)19-10-22-18(9-23-19)15-6-4-3-5-7-15/h2-7,9-10,16-17H,1,8,11-14H2,(H,21,26)
InChIKeyDJBYLJSGPJUKBG-UHFFFAOYSA-N
XLogP2.41
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 166600557) is 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is C=CCNC(=O)N1CC2CN(c3cnc(-c4ccccc4)cn3)CC2C1.
What is the InChIKey of 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is DJBYLJSGPJUKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-8-21-20(26)25-13-16-11-24(12-17(16)14-25)19-10-22-18(9-23-19)15-6-4-3-5-7-15/h2-7,9-10,16-17H,1,8,11-14H2,(H,21,26).
What are the key properties of 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 166600557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).