3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one

C17H21N3O — CID 46231564

IUPAC3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)N(CCC(=O)c1cnccn1)Cc1ccccc1
InChIInChI=1S/C17H21N3O/c1-14(2)20(13-15-6-4-3-5-7-15)11-8-17(21)16-12-18-9-10-19-16/h3-7,9-10,12,14H,8,11,13H2,1-2H3
InChIKeyJRBBHFPMWUHQGA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.96
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one

3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one (PubChem CID 46231564) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
PubChem CID46231564
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)N(CCC(=O)c1cnccn1)Cc1ccccc1
InChIInChI=1S/C17H21N3O/c1-14(2)20(13-15-6-4-3-5-7-15)11-8-17(21)16-12-18-9-10-19-16/h3-7,9-10,12,14H,8,11,13H2,1-2H3
InChIKeyJRBBHFPMWUHQGA-UHFFFAOYSA-N
XLogP2.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one (CID 46231564) is 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one is CC(C)N(CCC(=O)c1cnccn1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one?
The InChIKey is JRBBHFPMWUHQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14(2)20(13-15-6-4-3-5-7-15)11-8-17(21)16-12-18-9-10-19-16/h3-7,9-10,12,14H,8,11,13H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one?
3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one has a molecular weight of 283.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 46231564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).