2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide

C12H20N4O2 — CID 106277774

IUPAC2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide
SMILESCC(C)n1ccnc(NCC(C)(C)C(N)=O)c1=O
InChIInChI=1S/C12H20N4O2/c1-8(2)16-6-5-14-9(10(16)17)15-7-12(3,4)11(13)18/h5-6,8H,7H2,1-4H3,(H2,13,18)(H,14,15)
InChIKeyJRABPFXMSNKFES-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.75
Rot. Bonds5

About 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide

2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide (PubChem CID 106277774) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide
PubChem CID106277774
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide
SMILESCC(C)n1ccnc(NCC(C)(C)C(N)=O)c1=O
InChIInChI=1S/C12H20N4O2/c1-8(2)16-6-5-14-9(10(16)17)15-7-12(3,4)11(13)18/h5-6,8H,7H2,1-4H3,(H2,13,18)(H,14,15)
InChIKeyJRABPFXMSNKFES-UHFFFAOYSA-N
XLogP0.75
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-[(4-chloro-2,2-dimethylbutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106141809
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-methyl-4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 81065935
3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
CID 114174313
N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192
2-ethyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 79806400
3-[(2-chloro-3-methoxypropyl)amino]-1-propan-2-ylpyrazin-2-one
CID 65027172
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one
CID 113313327
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide (CID 106277774) is 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide is CC(C)n1ccnc(NCC(C)(C)C(N)=O)c1=O.
What is the InChIKey of 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide?
The InChIKey is JRABPFXMSNKFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)16-6-5-14-9(10(16)17)15-7-12(3,4)11(13)18/h5-6,8H,7H2,1-4H3,(H2,13,18)(H,14,15).
What are the key properties of 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide?
2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide is sourced from PubChem (CID 106277774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).