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

C19H24N4O3 — CID 124999254

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)NC[C@]1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C19H24N4O3/c1-14-3-4-16(26-2)15(9-14)10-18(24)22-12-19(25)5-8-23(13-19)17-11-20-6-7-21-17/h3-4,6-7,9,11,25H,5,8,10,12-13H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyRNNWCRDETOFLNU-LJQANCHMSA-N
MW356.43 g/mol
LogP1.09
Rot. Bonds6

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

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 124999254) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
PubChem CID124999254
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)NC[C@]1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C19H24N4O3/c1-14-3-4-16(26-2)15(9-14)10-18(24)22-12-19(25)5-8-23(13-19)17-11-20-6-7-21-17/h3-4,6-7,9,11,25H,5,8,10,12-13H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyRNNWCRDETOFLNU-LJQANCHMSA-N
XLogP1.09
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide (CID 124999254) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1CC(=O)NC[C@]1(O)CCN(c2cnccn2)C1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is RNNWCRDETOFLNU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-3-4-16(26-2)15(9-14)10-18(24)22-12-19(25)5-8-23(13-19)17-11-20-6-7-21-17/h3-4,6-7,9,11,25H,5,8,10,12-13H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide?
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.09, 6 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-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 124999254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).