N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide

C13H18N4O3 — CID 142990533

IUPACN-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(C)(C)C(C=O)NC(=O)CNC(=O)c1cnccn1
InChIInChI=1S/C13H18N4O3/c1-13(2,3)10(8-18)17-11(19)7-16-12(20)9-6-14-4-5-15-9/h4-6,8,10H,7H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyDAYBFOJSOKNWKZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.06
Rot. Bonds5

About N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide

N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 142990533) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID142990533
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(C)(C)C(C=O)NC(=O)CNC(=O)c1cnccn1
InChIInChI=1S/C13H18N4O3/c1-13(2,3)10(8-18)17-11(19)7-16-12(20)9-6-14-4-5-15-9/h4-6,8,10H,7H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyDAYBFOJSOKNWKZ-UHFFFAOYSA-N
XLogP-0.06
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]propanoic acid
CID 14101217
N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 70297294
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144733404
cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144746975
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid
CID 142596570
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 142990533) is N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide is CC(C)(C)C(C=O)NC(=O)CNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is DAYBFOJSOKNWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(2,3)10(8-18)17-11(19)7-16-12(20)9-6-14-4-5-15-9/h4-6,8,10H,7H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide?
N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 142990533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).