5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid

C17H17N3O4 — CID 120689077

IUPAC5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESCOc1ccccc1C1CCN(C(=O)c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C17H17N3O4/c1-24-15-5-3-2-4-12(15)11-6-7-20(10-11)16(21)13-8-19-14(9-18-13)17(22)23/h2-5,8-9,11H,6-7,10H2,1H3,(H,22,23)
InChIKeyPUSHCXFFZBTJMS-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.81
Rot. Bonds4

About 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid

5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 120689077) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID120689077
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESCOc1ccccc1C1CCN(C(=O)c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C17H17N3O4/c1-24-15-5-3-2-4-12(15)11-6-7-20(10-11)16(21)13-8-19-14(9-18-13)17(22)23/h2-5,8-9,11H,6-7,10H2,1H3,(H,22,23)
InChIKeyPUSHCXFFZBTJMS-UHFFFAOYSA-N
XLogP1.81
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137424
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685797
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 97099034
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689034
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid (CID 120689077) is 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid is COc1ccccc1C1CCN(C(=O)c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is PUSHCXFFZBTJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-24-15-5-3-2-4-12(15)11-6-7-20(10-11)16(21)13-8-19-14(9-18-13)17(22)23/h2-5,8-9,11H,6-7,10H2,1H3,(H,22,23).
What are the key properties of 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid?
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).