6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide

C11H16ClN3O — CID 106551385

IUPAC6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-7(2)8(3)4-14-11(16)9-5-13-6-10(12)15-9/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyKOFPIQGLUVPAOG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.15
Rot. Bonds4

About 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide

6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide (PubChem CID 106551385) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
PubChem CID106551385
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-7(2)8(3)4-14-11(16)9-5-13-6-10(12)15-9/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyKOFPIQGLUVPAOG-UHFFFAOYSA-N
XLogP2.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 114035318
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 106551339
6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 106551326
6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905
6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 106551480

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide (CID 106551385) is 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide is CC(C)C(C)CNC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide?
The InChIKey is KOFPIQGLUVPAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(2)8(3)4-14-11(16)9-5-13-6-10(12)15-9/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide?
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).