N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide

C12H18N4O3 — CID 144733404

IUPACN-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(C)C[C@@H](O)NC(=O)CNC(=O)c1cnccn1
InChIInChI=1S/C12H18N4O3/c1-8(2)5-10(17)16-11(18)7-15-12(19)9-6-13-3-4-14-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,15,19)(H,16,18)/t10-/m1/s1
InChIKeyUTZJIDZDMTVQLL-SNVBAGLBSA-N
MW266.30 g/mol
LogP-0.31
Rot. Bonds6

About N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide

N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 144733404) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID144733404
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(C)C[C@@H](O)NC(=O)CNC(=O)c1cnccn1
InChIInChI=1S/C12H18N4O3/c1-8(2)5-10(17)16-11(18)7-15-12(19)9-6-13-3-4-14-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,15,19)(H,16,18)/t10-/m1/s1
InChIKeyUTZJIDZDMTVQLL-SNVBAGLBSA-N
XLogP-0.31
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]propanoic acid
CID 14101217
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912
N-(1-amino-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 63888138
N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 70297294
N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 142990533
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-[2-[[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 71827793
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
[(1R)-3-methyl-1-[[(2R)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butyl]boronic acid
CID 74767136
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid
CID 142596570

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 144733404) is N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide is CC(C)C[C@@H](O)NC(=O)CNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is UTZJIDZDMTVQLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(2)5-10(17)16-11(18)7-15-12(19)9-6-13-3-4-14-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,15,19)(H,16,18)/t10-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 144733404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).