5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid

C16H16N4O4 — CID 122054304

IUPAC5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
SMILESCOc1ccccc1N1CCC(Nc2cnc(C(=O)O)cn2)C1=O
InChIInChI=1S/C16H16N4O4/c1-24-13-5-3-2-4-12(13)20-7-6-10(15(20)21)19-14-9-17-11(8-18-14)16(22)23/h2-5,8-10H,6-7H2,1H3,(H,18,19)(H,22,23)
InChIKeyMUUKDYZBYQJHTO-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.40
Rot. Bonds5

About 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid

5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 122054304) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
PubChem CID122054304
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
SMILESCOc1ccccc1N1CCC(Nc2cnc(C(=O)O)cn2)C1=O
InChIInChI=1S/C16H16N4O4/c1-24-13-5-3-2-4-12(13)20-7-6-10(15(20)21)19-14-9-17-11(8-18-14)16(22)23/h2-5,8-10H,6-7H2,1H3,(H,18,19)(H,22,23)
InChIKeyMUUKDYZBYQJHTO-UHFFFAOYSA-N
XLogP1.40
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
CID 133491151
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 126791576
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 133491152
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122050955
1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one
CID 154746706

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid (CID 122054304) is 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid is COc1ccccc1N1CCC(Nc2cnc(C(=O)O)cn2)C1=O.
What is the InChIKey of 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is MUUKDYZBYQJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-24-13-5-3-2-4-12(13)20-7-6-10(15(20)21)19-14-9-17-11(8-18-14)16(22)23/h2-5,8-10H,6-7H2,1H3,(H,18,19)(H,22,23).
What are the key properties of 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid?
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 328.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).