N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide

C10H14ClN3O2 — CID 104820050

IUPACN-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C10H14ClN3O2/c1-7(6-16-2)3-10(15)14-9-5-12-4-8(11)13-9/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyDAOVEAPXTFMOOC-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.74
Rot. Bonds5

About N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide

N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide (PubChem CID 104820050) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
PubChem CID104820050
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC NameN-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C10H14ClN3O2/c1-7(6-16-2)3-10(15)14-9-5-12-4-8(11)13-9/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyDAOVEAPXTFMOOC-UHFFFAOYSA-N
XLogP1.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide (CID 104820050) is N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The InChIKey is DAOVEAPXTFMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7(6-16-2)3-10(15)14-9-5-12-4-8(11)13-9/h4-5,7H,3,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide has a molecular weight of 243.69 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 104820050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).