1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide

C11H17N3O2 — CID 143818310

IUPAC1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide
SMILESCC(C)C(=O)CNC(=O)C1=CN(C)CC=N1
InChIInChI=1S/C11H17N3O2/c1-8(2)10(15)6-13-11(16)9-7-14(3)5-4-12-9/h4,7-8H,5-6H2,1-3H3,(H,13,16)
InChIKeyCFNSFKKMXHQAAZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.19
Rot. Bonds4

About 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide

1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide (PubChem CID 143818310) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide
PubChem CID143818310
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide
SMILESCC(C)C(=O)CNC(=O)C1=CN(C)CC=N1
InChIInChI=1S/C11H17N3O2/c1-8(2)10(15)6-13-11(16)9-7-14(3)5-4-12-9/h4,7-8H,5-6H2,1-3H3,(H,13,16)
InChIKeyCFNSFKKMXHQAAZ-UHFFFAOYSA-N
XLogP0.19
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 90081940
cyclohexane;1-methyl-N-(2-oxobutyl)-2H-pyrazine-5-carboxamide
CID 143596119
cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide
CID 143818309
(Z)-2-(ethylideneamino)-3-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)prop-2-enamide
CID 155036946
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide
CID 166487932
N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide
CID 166487933
(Z)-3-(ethylideneamino)-N-[(2R)-3-methylbutan-2-yl]-2-(methylideneamino)prop-2-enamide
CID 167135231
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-3-methyl-2-oxobutanamide;molecular hydrogen
CID 168880628
N-butyl-6-oxo-1H-pyrazine-2-carboxamide
CID 172999720
N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
CID 172999926
3-(3-Methyl-2-oxobutyl)-5-(propan-2-ylamino)pyrimidin-4-one
CID 59915853
N-(2-amino-3-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 64175906

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide (CID 143818310) is 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide is CC(C)C(=O)CNC(=O)C1=CN(C)CC=N1.
What is the InChIKey of 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide?
The InChIKey is CFNSFKKMXHQAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)10(15)6-13-11(16)9-7-14(3)5-4-12-9/h4,7-8H,5-6H2,1-3H3,(H,13,16).
What are the key properties of 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide?
1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide is sourced from PubChem (CID 143818310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).