N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide

C10H14ClN3O — CID 87179533

IUPACN-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1cncc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-10(2,3)9(15)13-5-7-4-12-6-8(11)14-7/h4,6H,5H2,1-3H3,(H,13,15)
InChIKeyFQQRIXKDFHGWJW-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.79
Rot. Bonds2

About N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide

N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 87179533) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID87179533
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1cncc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-10(2,3)9(15)13-5-7-4-12-6-8(11)14-7/h4,6H,5H2,1-3H3,(H,13,15)
InChIKeyFQQRIXKDFHGWJW-UHFFFAOYSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide (CID 87179533) is N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1cncc(Cl)n1.
What is the InChIKey of N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is FQQRIXKDFHGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-10(2,3)9(15)13-5-7-4-12-6-8(11)14-7/h4,6H,5H2,1-3H3,(H,13,15).
What are the key properties of N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide?
N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 227.69 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyrazin-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 87179533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).