N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

C11H15N5O3 — CID 70297294

IUPACN-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC[C@H](NC(=O)CNC(=O)c1cnccn1)C(N)=O
InChIInChI=1S/C11H15N5O3/c1-2-7(10(12)18)16-9(17)6-15-11(19)8-5-13-3-4-14-8/h3-5,7H,2,6H2,1H3,(H2,12,18)(H,15,19)(H,16,17)/t7-/m0/s1
InChIKeyPUJKTLCFKMUMLA-ZETCQYMHSA-N
MW265.27 g/mol
LogP-1.41
Rot. Bonds6

About N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 70297294) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID70297294
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC NameN-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC[C@H](NC(=O)CNC(=O)c1cnccn1)C(N)=O
InChIInChI=1S/C11H15N5O3/c1-2-7(10(12)18)16-9(17)6-15-11(19)8-5-13-3-4-14-8/h3-5,7H,2,6H2,1H3,(H2,12,18)(H,15,19)(H,16,17)/t7-/m0/s1
InChIKeyPUJKTLCFKMUMLA-ZETCQYMHSA-N
XLogP-1.41
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]propanoic acid
CID 14101217
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 142990533
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144733404
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide
CID 175901788
cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144746975
N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 27762226
[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid
CID 142596570
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119121124

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 70297294) is N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide is CC[C@H](NC(=O)CNC(=O)c1cnccn1)C(N)=O.
What is the InChIKey of N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is PUJKTLCFKMUMLA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-2-7(10(12)18)16-9(17)6-15-11(19)8-5-13-3-4-14-8/h3-5,7H,2,6H2,1H3,(H2,12,18)(H,15,19)(H,16,17)/t7-/m0/s1.
What are the key properties of N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 70297294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).