N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide

C16H20N4O2S — CID 125007177

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)NC[C@]2(O)CCN(c3cnccn3)C2)s1
InChIInChI=1S/C16H20N4O2S/c1-12-2-3-13(23-12)8-15(21)19-10-16(22)4-7-20(11-16)14-9-17-5-6-18-14/h2-3,5-6,9,22H,4,7-8,10-11H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyULMOKEQUJVALCD-MRXNPFEDSA-N
MW332.43 g/mol
LogP1.15
Rot. Bonds5

About N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide (PubChem CID 125007177) 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]-2-(5-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
PubChem CID125007177
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)NC[C@]2(O)CCN(c3cnccn3)C2)s1
InChIInChI=1S/C16H20N4O2S/c1-12-2-3-13(23-12)8-15(21)19-10-16(22)4-7-20(11-16)14-9-17-5-6-18-14/h2-3,5-6,9,22H,4,7-8,10-11H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyULMOKEQUJVALCD-MRXNPFEDSA-N
XLogP1.15
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110123752
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 124999254
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110123769
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110123809
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 124976103
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
CID 125017904
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 124977632
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988701
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide (CID 125007177) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide is Cc1ccc(CC(=O)NC[C@]2(O)CCN(c3cnccn3)C2)s1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide?
The InChIKey is ULMOKEQUJVALCD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-2-3-13(23-12)8-15(21)19-10-16(22)4-7-20(11-16)14-9-17-5-6-18-14/h2-3,5-6,9,22H,4,7-8,10-11H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide?
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 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]-2-(5-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 125007177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).