(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide

C14H15BrN4O2 — CID 155662554

IUPAC(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
SMILESCn1cc(Br)nc(N[C@@H](Cc2ccccc2)C(N)=O)c1=O
InChIInChI=1S/C14H15BrN4O2/c1-19-8-11(15)18-13(14(19)21)17-10(12(16)20)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,16,20)(H,17,18)/t10-/m0/s1
InChIKeySHEBBGSOMHYJMG-JTQLQIEISA-N
MW351.20 g/mol
LogP1.05
Rot. Bonds5

About (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide

(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide (PubChem CID 155662554) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
PubChem CID155662554
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
SMILESCn1cc(Br)nc(N[C@@H](Cc2ccccc2)C(N)=O)c1=O
InChIInChI=1S/C14H15BrN4O2/c1-19-8-11(15)18-13(14(19)21)17-10(12(16)20)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,16,20)(H,17,18)/t10-/m0/s1
InChIKeySHEBBGSOMHYJMG-JTQLQIEISA-N
XLogP1.05
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
CID 97327412
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide
CID 58869621
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
2-(2-methylprop-2-enylamino)-3-phenylpropanamide
CID 67567715
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide
CID 145402038
(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 29028446
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide (CID 155662554) is (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide is Cn1cc(Br)nc(N[C@@H](Cc2ccccc2)C(N)=O)c1=O.
What is the InChIKey of (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide?
The InChIKey is SHEBBGSOMHYJMG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-19-8-11(15)18-13(14(19)21)17-10(12(16)20)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,16,20)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide?
(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide has a molecular weight of 351.20 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 155662554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).