N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide

C20H27N3O4 — CID 54642921

IUPACN-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C20H27N3O4/c24-14-18-17(22-19(25)12-15-6-2-3-9-21-15)8-7-16(27-18)13-20(26)23-10-4-1-5-11-23/h2-3,6-9,16-18,24H,1,4-5,10-14H2,(H,22,25)/t16-,17+,18+/m0/s1
InChIKeyZBZATYGIRVPWKB-RCCFBDPRSA-N
MW373.45 g/mol
LogP0.83
Rot. Bonds6

About N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide

N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide (PubChem CID 54642921) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide
PubChem CID54642921
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C20H27N3O4/c24-14-18-17(22-19(25)12-15-6-2-3-9-21-15)8-7-16(27-18)13-20(26)23-10-4-1-5-11-23/h2-3,6-9,16-18,24H,1,4-5,10-14H2,(H,22,25)/t16-,17+,18+/m0/s1
InChIKeyZBZATYGIRVPWKB-RCCFBDPRSA-N
XLogP0.83
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide with MolForge

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Related Compounds

N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide
CID 54640793
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-pyridin-2-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 54638284
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(2-pyridin-2-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 54638295
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-pyridin-2-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 54638287
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(2-pyridin-2-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 54638296
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(2-pyridin-2-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 54640032
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-pyridin-2-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54640453
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]-2-phenylacetamide
CID 54639819
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
CID 54639072
N-[(2R,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54645432
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
CID 54639147
N-[(2S,3S,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
CID 54638452

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide (CID 54642921) is N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO.
What is the InChIKey of N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide?
The InChIKey is ZBZATYGIRVPWKB-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-14-18-17(22-19(25)12-15-6-2-3-9-21-15)8-7-16(27-18)13-20(26)23-10-4-1-5-11-23/h2-3,6-9,16-18,24H,1,4-5,10-14H2,(H,22,25)/t16-,17+,18+/m0/s1.
What are the key properties of N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide?
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide has a molecular weight of 373.45 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 54642921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).