N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide

C16H20N4O2S — CID 53185723

IUPACN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCOc1nccnc1N1CCC(N(C)C(=O)Cc2ccsc2)C1
InChIInChI=1S/C16H20N4O2S/c1-19(14(21)9-12-4-8-23-11-12)13-3-7-20(10-13)15-16(22-2)18-6-5-17-15/h4-6,8,11,13H,3,7,9-10H2,1-2H3
InChIKeyCEEBKSCKFPKWSY-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 53185723) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID53185723
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCOc1nccnc1N1CCC(N(C)C(=O)Cc2ccsc2)C1
InChIInChI=1S/C16H20N4O2S/c1-19(14(21)9-12-4-8-23-11-12)13-3-7-20(10-13)15-16(22-2)18-6-5-17-15/h4-6,8,11,13H,3,7,9-10H2,1-2H3
InChIKeyCEEBKSCKFPKWSY-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide (CID 53185723) is N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide is COc1nccnc1N1CCC(N(C)C(=O)Cc2ccsc2)C1.
What is the InChIKey of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is CEEBKSCKFPKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(14(21)9-12-4-8-23-11-12)13-3-7-20(10-13)15-16(22-2)18-6-5-17-15/h4-6,8,11,13H,3,7,9-10H2,1-2H3.
What are the key properties of N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide?
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 332.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 53185723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).