N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide

C10H14ClN3O2 — CID 107595963

IUPACN-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O2/c1-7(6-16-2)3-10(15)14-9-5-12-8(11)4-13-9/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyQSHFDDOMXCTQQM-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.74
Rot. Bonds5

About N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide

N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide (PubChem CID 107595963) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
PubChem CID107595963
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC NameN-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O2/c1-7(6-16-2)3-10(15)14-9-5-12-8(11)4-13-9/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyQSHFDDOMXCTQQM-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

Analyze N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide (CID 107595963) is N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The InChIKey is QSHFDDOMXCTQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7(6-16-2)3-10(15)14-9-5-12-8(11)4-13-9/h4-5,7H,3,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
N-(5-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-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 107595963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).