2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide

C14H19N3O3 — CID 131944350

IUPAC2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
SMILESCCCN1CC(NC(=O)c2cc(O)ccc2N)CC1=O
InChIInChI=1S/C14H19N3O3/c1-2-5-17-8-9(6-13(17)19)16-14(20)11-7-10(18)3-4-12(11)15/h3-4,7,9,18H,2,5-6,8,15H2,1H3,(H,16,20)
InChIKeyBDJRKVMGVPPZFW-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.72
Rot. Bonds4

About 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide

2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide (PubChem CID 131944350) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
PubChem CID131944350
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
SMILESCCCN1CC(NC(=O)c2cc(O)ccc2N)CC1=O
InChIInChI=1S/C14H19N3O3/c1-2-5-17-8-9(6-13(17)19)16-14(20)11-7-10(18)3-4-12(11)15/h3-4,7,9,18H,2,5-6,8,15H2,1H3,(H,16,20)
InChIKeyBDJRKVMGVPPZFW-UHFFFAOYSA-N
XLogP0.72
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 136772131
2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
CID 131923221
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 72884702
2-morpholin-4-yl-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 95476963
2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
CID 125442731
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 126428125
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 107074192
4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
CID 136776065
2-amino-5-fluoro-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031132
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide (CID 131944350) is 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide is CCCN1CC(NC(=O)c2cc(O)ccc2N)CC1=O.
What is the InChIKey of 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The InChIKey is BDJRKVMGVPPZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-5-17-8-9(6-13(17)19)16-14(20)11-7-10(18)3-4-12(11)15/h3-4,7,9,18H,2,5-6,8,15H2,1H3,(H,16,20).
What are the key properties of 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 131944350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).