1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one

C18H22N4O3 — CID 133491151

IUPAC1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2cncc(OC(C)C)n2)C1=O
InChIInChI=1S/C18H22N4O3/c1-12(2)25-17-11-19-10-16(21-17)20-13-8-9-22(18(13)23)14-6-4-5-7-15(14)24-3/h4-7,10-13H,8-9H2,1-3H3,(H,20,21)
InChIKeyJNMCDFIKKLGYNS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.49
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one

1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one (PubChem CID 133491151) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
PubChem CID133491151
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2cncc(OC(C)C)n2)C1=O
InChIInChI=1S/C18H22N4O3/c1-12(2)25-17-11-19-10-16(21-17)20-13-8-9-22(18(13)23)14-6-4-5-7-15(14)24-3/h4-7,10-13H,8-9H2,1-3H3,(H,20,21)
InChIKeyJNMCDFIKKLGYNS-UHFFFAOYSA-N
XLogP2.49
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
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
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one
CID 154746706
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine
CID 133485329
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563799
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133389739
2-[2-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]ethyl]phthalazin-1-one
CID 167781051

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one (CID 133491151) is 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one is COc1ccccc1N1CCC(Nc2cncc(OC(C)C)n2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is JNMCDFIKKLGYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)25-17-11-19-10-16(21-17)20-13-8-9-22(18(13)23)14-6-4-5-7-15(14)24-3/h4-7,10-13H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one?
1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133491151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).