2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide

C18H19N3O3 — CID 138013868

IUPAC2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide
SMILESCN1C(=O)C[C@H](NC(=O)Cc2cccc(O)c2)[C@H]1c1cccnc1
InChIInChI=1S/C18H19N3O3/c1-21-17(24)10-15(18(21)13-5-3-7-19-11-13)20-16(23)9-12-4-2-6-14(22)8-12/h2-8,11,15,18,22H,9-10H2,1H3,(H,20,23)/t15-,18+/m0/s1
InChIKeyYQTJLFMQLDUDCO-MAUKXSAKSA-N
MW325.37 g/mol
LogP1.42
Rot. Bonds4

About 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide

2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide (PubChem CID 138013868) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide
PubChem CID138013868
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide
SMILESCN1C(=O)C[C@H](NC(=O)Cc2cccc(O)c2)[C@H]1c1cccnc1
InChIInChI=1S/C18H19N3O3/c1-21-17(24)10-15(18(21)13-5-3-7-19-11-13)20-16(23)9-12-4-2-6-14(22)8-12/h2-8,11,15,18,22H,9-10H2,1H3,(H,20,23)/t15-,18+/m0/s1
InChIKeyYQTJLFMQLDUDCO-MAUKXSAKSA-N
XLogP1.42
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide (CID 138013868) is 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide is CN1C(=O)C[C@H](NC(=O)Cc2cccc(O)c2)[C@H]1c1cccnc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide?
The InChIKey is YQTJLFMQLDUDCO-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21-17(24)10-15(18(21)13-5-3-7-19-11-13)20-16(23)9-12-4-2-6-14(22)8-12/h2-8,11,15,18,22H,9-10H2,1H3,(H,20,23)/t15-,18+/m0/s1.
What are the key properties of 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide?
2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 138013868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).