2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide

C12H16N4O2 — CID 114165297

IUPAC2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(N)c(C(N)=O)c2)C1=O
InChIInChI=1S/C12H16N4O2/c1-16-5-4-10(12(16)18)15-7-2-3-9(13)8(6-7)11(14)17/h2-3,6,10,15H,4-5,13H2,1H3,(H2,14,17)
InChIKeyLKQCLCHLNBAAMI-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.01
Rot. Bonds3

About 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide

2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide (PubChem CID 114165297) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
PubChem CID114165297
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(N)c(C(N)=O)c2)C1=O
InChIInChI=1S/C12H16N4O2/c1-16-5-4-10(12(16)18)15-7-2-3-9(13)8(6-7)11(14)17/h2-3,6,10,15H,4-5,13H2,1H3,(H2,14,17)
InChIKeyLKQCLCHLNBAAMI-UHFFFAOYSA-N
XLogP0.01
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 106259003
3-(4-amino-3-methoxyanilino)-1-methylpyrrolidin-2-one
CID 106252196
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106257103
3-(3-amino-4-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258532
3-(3-acetyl-4-aminoanilino)-1-methylpiperidine-2,6-dione
CID 104612940
5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 71975561
2-chloro-5-[[(3R)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]amino]benzamide
CID 97220318
2-amino-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
(3S)-3-[3-chloro-4-(piperidine-1-carbonyl)anilino]-1-methylpyrrolidin-2-one
CID 96568037
2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide
CID 83023670
5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide
CID 56787560
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The IUPAC name of 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide (CID 114165297) is 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide is CN1CCC(Nc2ccc(N)c(C(N)=O)c2)C1=O.
What is the InChIKey of 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
The InChIKey is LKQCLCHLNBAAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16-5-4-10(12(16)18)15-7-2-3-9(13)8(6-7)11(14)17/h2-3,6,10,15H,4-5,13H2,1H3,(H2,14,17).
What are the key properties of 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide?
2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide has a molecular weight of 248.29 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 114165297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).