2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide

C13H18ClN3O3 — CID 110208389

IUPAC2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide
SMILESCOc1cncc(OC2CCC(NC(=O)CCl)CC2)n1
InChIInChI=1S/C13H18ClN3O3/c1-19-12-7-15-8-13(17-12)20-10-4-2-9(3-5-10)16-11(18)6-14/h7-10H,2-6H2,1H3,(H,16,18)
InChIKeyVVIYSPVZOLENOE-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.53
Rot. Bonds5

About 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide

2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide (PubChem CID 110208389) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide
PubChem CID110208389
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide
SMILESCOc1cncc(OC2CCC(NC(=O)CCl)CC2)n1
InChIInChI=1S/C13H18ClN3O3/c1-19-12-7-15-8-13(17-12)20-10-4-2-9(3-5-10)16-11(18)6-14/h7-10H,2-6H2,1H3,(H,16,18)
InChIKeyVVIYSPVZOLENOE-UHFFFAOYSA-N
XLogP1.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide
CID 117054681
(E)-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-3-(4-nitrophenyl)prop-2-enamide
CID 117054686
N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
CID 79394556
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
2-cyclopentyl-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626028
N-cyclopropyl-6-methoxypyrazin-2-amine
CID 127009614
3-(6-methoxypyrazin-2-yl)oxycyclohexan-1-amine
CID 79465847
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
2-phenylmethoxy-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626095
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 154754030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide (CID 110208389) is 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide is COc1cncc(OC2CCC(NC(=O)CCl)CC2)n1.
What is the InChIKey of 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is VVIYSPVZOLENOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-19-12-7-15-8-13(17-12)20-10-4-2-9(3-5-10)16-11(18)6-14/h7-10H,2-6H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide?
2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 299.76 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 110208389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).