N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide

C16H19N3O2 — CID 46943071

IUPACN-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide
SMILESCOc1ccc(C(C)C)cc1-c1cncc(NC(C)=O)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)12-5-6-15(21-4)13(7-12)14-8-17-9-16(19-14)18-11(3)20/h5-10H,1-4H3,(H,18,19,20)
InChIKeyUFXRQKLBPIRUEQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.23
Rot. Bonds4

About N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide

N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide (PubChem CID 46943071) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide
PubChem CID46943071
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide
SMILESCOc1ccc(C(C)C)cc1-c1cncc(NC(C)=O)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)12-5-6-15(21-4)13(7-12)14-8-17-9-16(19-14)18-11(3)20/h5-10H,1-4H3,(H,18,19,20)
InChIKeyUFXRQKLBPIRUEQ-UHFFFAOYSA-N
XLogP3.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide?
The IUPAC name of N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide (CID 46943071) is N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide?
The canonical SMILES for N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide is COc1ccc(C(C)C)cc1-c1cncc(NC(C)=O)n1.
What is the InChIKey of N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide?
The InChIKey is UFXRQKLBPIRUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)12-5-6-15(21-4)13(7-12)14-8-17-9-16(19-14)18-11(3)20/h5-10H,1-4H3,(H,18,19,20).
What are the key properties of N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide?
N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 46943071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).