6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide

C10H12ClN3O2 — CID 106551343

IUPAC6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide
SMILESCC1(CNC(=O)c2cncc(Cl)n2)COC1
InChIInChI=1S/C10H12ClN3O2/c1-10(5-16-6-10)4-13-9(15)7-2-12-3-8(11)14-7/h2-3H,4-6H2,1H3,(H,13,15)
InChIKeyRSFCUQBAGRIJNY-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.90
Rot. Bonds3

About 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide

6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 106551343) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID106551343
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide
SMILESCC1(CNC(=O)c2cncc(Cl)n2)COC1
InChIInChI=1S/C10H12ClN3O2/c1-10(5-16-6-10)4-13-9(15)7-2-12-3-8(11)14-7/h2-3H,4-6H2,1H3,(H,13,15)
InChIKeyRSFCUQBAGRIJNY-UHFFFAOYSA-N
XLogP0.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
CID 78957062
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 106551339
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674
6-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551418
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide
CID 103187308
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791488
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide (CID 106551343) is 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide is CC1(CNC(=O)c2cncc(Cl)n2)COC1.
What is the InChIKey of 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is RSFCUQBAGRIJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-10(5-16-6-10)4-13-9(15)7-2-12-3-8(11)14-7/h2-3H,4-6H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide?
6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).