6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide

C11H14ClN3O — CID 106551339

IUPAC6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide
SMILESCC1(C)CC1CNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c1-11(2)3-7(11)4-14-10(16)8-5-13-6-9(12)15-8/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyYMUZTDMEDXLKSA-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.91
Rot. Bonds3

About 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide

6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide (PubChem CID 106551339) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide
PubChem CID106551339
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide
SMILESCC1(C)CC1CNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O/c1-11(2)3-7(11)4-14-10(16)8-5-13-6-9(12)15-8/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyYMUZTDMEDXLKSA-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide (CID 106551339) is 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide is CC1(C)CC1CNC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide?
The InChIKey is YMUZTDMEDXLKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-11(2)3-7(11)4-14-10(16)8-5-13-6-9(12)15-8/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide?
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).