6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid

C17H19N3O2 — CID 126451229

IUPAC6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESCC1(C)CN(c2cncc(C(=O)O)n2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-17(2)11-20(10-13(17)12-6-4-3-5-7-12)15-9-18-8-14(19-15)16(21)22/h3-9,13H,10-11H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyUIIHDARNOMFUJA-CYBMUJFWSA-N
MW297.36 g/mol
LogP2.80
Rot. Bonds3

About 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid

6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 126451229) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID126451229
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
SMILESCC1(C)CN(c2cncc(C(=O)O)n2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-17(2)11-20(10-13(17)12-6-4-3-5-7-12)15-9-18-8-14(19-15)16(21)22/h3-9,13H,10-11H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyUIIHDARNOMFUJA-CYBMUJFWSA-N
XLogP2.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 126435494
6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450319
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 103356411
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 126448160
2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
CID 126423906
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
CID 126423907
6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 86283729
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 121496507
6-(3-hydroxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66457642
[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 126436258
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid (CID 126451229) is 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid is CC1(C)CN(c2cncc(C(=O)O)n2)C[C@@H]1c1ccccc1.
What is the InChIKey of 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is UIIHDARNOMFUJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2)11-20(10-13(17)12-6-4-3-5-7-12)15-9-18-8-14(19-15)16(21)22/h3-9,13H,10-11H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid?
6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 126451229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).