1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide

C21H25N3O4 — CID 90624944

IUPAC1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(O)Cn3ccccc3=O)CC2=O)cc1C
InChIInChI=1S/C21H25N3O4/c1-14-6-7-17(9-15(14)2)24-12-16(10-20(24)27)21(28)22-11-18(25)13-23-8-4-3-5-19(23)26/h3-9,16,18,25H,10-13H2,1-2H3,(H,22,28)
InChIKeyADXIGFGIOLIOKZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.00
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 90624944) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID90624944
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(O)Cn3ccccc3=O)CC2=O)cc1C
InChIInChI=1S/C21H25N3O4/c1-14-6-7-17(9-15(14)2)24-12-16(10-20(24)27)21(28)22-11-18(25)13-23-8-4-3-5-19(23)26/h3-9,16,18,25H,10-13H2,1-2H3,(H,22,28)
InChIKeyADXIGFGIOLIOKZ-UHFFFAOYSA-N
XLogP1.00
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 90624813
1-(3,4-dimethylphenyl)-N-(2-hydroxy-3-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 56765286
(3S)-1-(3,4-dimethylphenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 97040678
(3S)-1-(3,4-dimethylphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 97038590
(3S)-1-(3,4-dimethylphenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 97038592
1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021602
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
N-(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082306
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 90624944) is 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCC(O)Cn3ccccc3=O)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ADXIGFGIOLIOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-6-7-17(9-15(14)2)24-12-16(10-20(24)27)21(28)22-11-18(25)13-23-8-4-3-5-19(23)26/h3-9,16,18,25H,10-13H2,1-2H3,(H,22,28).
What are the key properties of 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90624944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).