N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide

C11H15ClN4O2 — CID 106551596

IUPACN-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-2-3-4-16(7-10(13)17)11(18)8-5-14-6-9(12)15-8/h5-6H,2-4,7H2,1H3,(H2,13,17)
InChIKeyWHRMHLSKCNVSPK-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.86
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide (PubChem CID 106551596) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide
PubChem CID106551596
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-2-3-4-16(7-10(13)17)11(18)8-5-14-6-9(12)15-8/h5-6H,2-4,7H2,1H3,(H2,13,17)
InChIKeyWHRMHLSKCNVSPK-UHFFFAOYSA-N
XLogP0.86
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide (CID 106551596) is N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide is CCCCN(CC(N)=O)C(=O)c1cncc(Cl)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide?
The InChIKey is WHRMHLSKCNVSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-2-3-4-16(7-10(13)17)11(18)8-5-14-6-9(12)15-8/h5-6H,2-4,7H2,1H3,(H2,13,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 106551596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).