(2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

C21H25N3O6 — CID 70329666

IUPAC(2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCOc1nc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)ccc1-c1ccccc1O
InChIInChI=1S/C21H25N3O6/c1-30-20-15(14-6-2-3-7-16(14)25)9-8-13(23-20)12-22-19(28)17(26)18(27)21(29)24-10-4-5-11-24/h2-3,6-9,17-18,25-27H,4-5,10-12H2,1H3,(H,22,28)/t17-,18-/m1/s1
InChIKeyHZPDUXMGZBNUNL-QZTJIDSGSA-N
MW415.45 g/mol
LogP0.42
Rot. Bonds7

About (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

(2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 70329666) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID70329666
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Name(2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCOc1nc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)ccc1-c1ccccc1O
InChIInChI=1S/C21H25N3O6/c1-30-20-15(14-6-2-3-7-16(14)25)9-8-13(23-20)12-22-19(28)17(26)18(27)21(29)24-10-4-5-11-24/h2-3,6-9,17-18,25-27H,4-5,10-12H2,1H3,(H,22,28)/t17-,18-/m1/s1
InChIKeyHZPDUXMGZBNUNL-QZTJIDSGSA-N
XLogP0.42
TPSA132.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide with MolForge

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Related Compounds

2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)butanamide
CID 143155083
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931889
(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide
CID 143478474
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 143154323
2,6-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 110348628
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;ethane;N-ethyl-1,3-thiazol-2-amine
CID 143155052
[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 8539506
2-amino-4-[(2-methoxyphenyl)methylamino]-1-piperidin-1-ylbutan-1-one
CID 85416870

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 70329666) is (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is COc1nc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)ccc1-c1ccccc1O.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is HZPDUXMGZBNUNL-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-30-20-15(14-6-2-3-7-16(14)25)9-8-13(23-20)12-22-19(28)17(26)18(27)21(29)24-10-4-5-11-24/h2-3,6-9,17-18,25-27H,4-5,10-12H2,1H3,(H,22,28)/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
(2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 415.45 g/mol, XLogP of 0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 70329666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).