1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one

C16H24N4O3 — CID 59125798

IUPAC1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
SMILESCC[C@@H](C(C)=O)n1ccnc(NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C16H24N4O3/c1-3-13(12(2)21)20-11-8-18-15(16(20)23)17-7-5-10-19-9-4-6-14(19)22/h8,11,13H,3-7,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyWXPRLCUOKVZHRF-ZDUSSCGKSA-N
MW320.39 g/mol
LogP1.21
Rot. Bonds8

About 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one

1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one (PubChem CID 59125798) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
PubChem CID59125798
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
SMILESCC[C@@H](C(C)=O)n1ccnc(NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C16H24N4O3/c1-3-13(12(2)21)20-11-8-18-15(16(20)23)17-7-5-10-19-9-4-6-14(19)22/h8,11,13H,3-7,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyWXPRLCUOKVZHRF-ZDUSSCGKSA-N
XLogP1.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-ethyl-3-oxopyrazin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 177661959
1-(2-Oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
CID 22969712
1-Methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 22969726
1-(2-Oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one
CID 22969754
N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]butanamide
CID 88938553
[3-imino-1-[[3-oxo-4-[(2S)-1-oxo-1-[(2-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]pyrazin-2-yl]amino]butan-2-ylidene]azanide
CID 142038972
2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]-N-(2-oxopropyl)butanamide
CID 142039095
[4-imino-6-[[3-oxo-4-[(2S)-1-oxo-1-[(2-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]pyrazin-2-yl]amino]hexan-3-ylidene]azanide
CID 142039138
5-Bromo-1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 155662568
1-Methyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one
CID 55130794
3-[(1-Ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one
CID 55132923
1-Cyclopropyl-3-(3-pyrrolidin-1-ylpropylamino)pyrazin-2-one
CID 55140166

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one?
The IUPAC name of 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one (CID 59125798) is 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one.
What is the SMILES notation for 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one?
The canonical SMILES for 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one is CC[C@@H](C(C)=O)n1ccnc(NCCCN2CCCC2=O)c1=O.
What is the InChIKey of 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one?
The InChIKey is WXPRLCUOKVZHRF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-13(12(2)21)20-11-8-18-15(16(20)23)17-7-5-10-19-9-4-6-14(19)22/h8,11,13H,3-7,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one?
1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one is sourced from PubChem (CID 59125798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).