N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide

C16H20N4O2S — CID 124961883

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C16H20N4O2S/c1-19(15(21)8-13-2-7-23-10-13)11-16(22)3-6-20(12-16)14-9-17-4-5-18-14/h2,4-5,7,9-10,22H,3,6,8,11-12H2,1H3/t16-/m0/s1
InChIKeyHEXSXPZEIITYDT-INIZCTEOSA-N
MW332.43 g/mol
LogP1.18
Rot. Bonds5

About N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 124961883) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID124961883
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C16H20N4O2S/c1-19(15(21)8-13-2-7-23-10-13)11-16(22)3-6-20(12-16)14-9-17-4-5-18-14/h2,4-5,7,9-10,22H,3,6,8,11-12H2,1H3/t16-/m0/s1
InChIKeyHEXSXPZEIITYDT-INIZCTEOSA-N
XLogP1.18
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124984347
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 125010093
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 124942401
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide
CID 124980307
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 125015140
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 124963098
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110158678
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 125000869
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 110123845
2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110123789
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110123761

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide (CID 124961883) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide is CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)Cc1ccsc1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is HEXSXPZEIITYDT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(15(21)8-13-2-7-23-10-13)11-16(22)3-6-20(12-16)14-9-17-4-5-18-14/h2,4-5,7,9-10,22H,3,6,8,11-12H2,1H3/t16-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 332.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 124961883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).