6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide

C15H20ClN3O — CID 103187278

IUPAC6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1cncc(Cl)n1)C2
InChIInChI=1S/C15H20ClN3O/c1-14(2)9-4-5-15(14,3)11(6-9)19-13(20)10-7-17-8-12(16)18-10/h7-9,11H,4-6H2,1-3H3,(H,19,20)
InChIKeyKZUWIFHPBAEUMZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.07
Rot. Bonds2

About 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide

6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide (PubChem CID 103187278) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide
PubChem CID103187278
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1cncc(Cl)n1)C2
InChIInChI=1S/C15H20ClN3O/c1-14(2)9-4-5-15(14,3)11(6-9)19-13(20)10-7-17-8-12(16)18-10/h7-9,11H,4-6H2,1-3H3,(H,19,20)
InChIKeyKZUWIFHPBAEUMZ-UHFFFAOYSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide (CID 103187278) is 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)c1cncc(Cl)n1)C2.
What is the InChIKey of 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide?
The InChIKey is KZUWIFHPBAEUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-14(2)9-4-5-15(14,3)11(6-9)19-13(20)10-7-17-8-12(16)18-10/h7-9,11H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide?
6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide has a molecular weight of 293.80 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103187278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).