2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone

C17H23N3O — CID 53033960

IUPAC2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)CC2CCCC2)c2cccnc21
InChIInChI=1S/C17H23N3O/c1-2-10-19-11-12-20(15-8-5-9-18-17(15)19)16(21)13-14-6-3-4-7-14/h2,5,8-9,14H,1,3-4,6-7,10-13H2
InChIKeyGYBRDJXXPAHYGX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.00
Rot. Bonds4

About 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone

2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone (PubChem CID 53033960) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone
PubChem CID53033960
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)CC2CCCC2)c2cccnc21
InChIInChI=1S/C17H23N3O/c1-2-10-19-11-12-20(15-8-5-9-18-17(15)19)16(21)13-14-6-3-4-7-14/h2,5,8-9,14H,1,3-4,6-7,10-13H2
InChIKeyGYBRDJXXPAHYGX-UHFFFAOYSA-N
XLogP3.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone (CID 53033960) is 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone is C=CCN1CCN(C(=O)CC2CCCC2)c2cccnc21.
What is the InChIKey of 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone?
The InChIKey is GYBRDJXXPAHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-10-19-11-12-20(15-8-5-9-18-17(15)19)16(21)13-14-6-3-4-7-14/h2,5,8-9,14H,1,3-4,6-7,10-13H2.
What are the key properties of 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone?
2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)ethanone is sourced from PubChem (CID 53033960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).