2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one

C13H20N4O — CID 112551234

IUPAC2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC(C)c1cnccn1)C(=O)N1CCCC1
InChIInChI=1S/C13H20N4O/c1-10(12-9-14-5-6-15-12)16-11(2)13(18)17-7-3-4-8-17/h5-6,9-11,16H,3-4,7-8H2,1-2H3
InChIKeyJWBDKRYZRYNDIA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.14
Rot. Bonds4

About 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 112551234) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID112551234
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC(C)c1cnccn1)C(=O)N1CCCC1
InChIInChI=1S/C13H20N4O/c1-10(12-9-14-5-6-15-12)16-11(2)13(18)17-7-3-4-8-17/h5-6,9-11,16H,3-4,7-8H2,1-2H3
InChIKeyJWBDKRYZRYNDIA-UHFFFAOYSA-N
XLogP1.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
N-[4-[[(1S)-1-pyrazin-2-ylethyl]amino]phenyl]azepane-1-carboxamide
CID 129398450
3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile
CID 132648111
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112699088
1-morpholin-4-yl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propan-1-one
CID 81402403
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
CID 43397992
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 112551234) is 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(NC(C)c1cnccn1)C(=O)N1CCCC1.
What is the InChIKey of 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JWBDKRYZRYNDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(12-9-14-5-6-15-12)16-11(2)13(18)17-7-3-4-8-17/h5-6,9-11,16H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 112551234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).