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

C17H29N3O2 — CID 143818309

IUPACcyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide
SMILESC1CCCCC1.CC(C)C(=O)CNC(=O)C1=CN(C)CC=N1
InChIInChI=1S/C11H17N3O2.C6H12/c1-8(2)10(15)6-13-11(16)9-7-14(3)5-4-12-9;1-2-4-6-5-3-1/h4,7-8H,5-6H2,1-3H3,(H,13,16);1-6H2
InChIKeyVQLZEAYEOULZBZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.53
Rot. Bonds4

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

cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide (PubChem CID 143818309) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide.

Molecular Properties

Compound Namecyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide
PubChem CID143818309
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Namecyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide
SMILESC1CCCCC1.CC(C)C(=O)CNC(=O)C1=CN(C)CC=N1
InChIInChI=1S/C11H17N3O2.C6H12/c1-8(2)10(15)6-13-11(16)9-7-14(3)5-4-12-9;1-2-4-6-5-3-1/h4,7-8H,5-6H2,1-3H3,(H,13,16);1-6H2
InChIKeyVQLZEAYEOULZBZ-UHFFFAOYSA-N
XLogP2.53
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide?
The IUPAC name of cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide (CID 143818309) is cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide.
What is the SMILES notation for cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide?
The canonical SMILES for cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide is C1CCCCC1.CC(C)C(=O)CNC(=O)C1=CN(C)CC=N1.
What is the InChIKey of cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide?
The InChIKey is VQLZEAYEOULZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.C6H12/c1-8(2)10(15)6-13-11(16)9-7-14(3)5-4-12-9;1-2-4-6-5-3-1/h4,7-8H,5-6H2,1-3H3,(H,13,16);1-6H2.
What are the key properties of cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide?
cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-methyl-N-(3-methyl-2-oxobutyl)-2H-pyrazine-5-carboxamide is sourced from PubChem (CID 143818309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).