2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate

C21H23N3O4 — CID 110167914

IUPAC2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate
SMILESO.O=C(Nc1ccncc1)C(=O)c1cn(CC2CCCC2)c2ccc(O)cc12
InChIInChI=1S/C21H21N3O3.H2O/c25-16-5-6-19-17(11-16)18(13-24(19)12-14-3-1-2-4-14)20(26)21(27)23-15-7-9-22-10-8-15;/h5-11,13-14,25H,1-4,12H2,(H,22,23,27);1H2
InChIKeyOLXDDVMUEDACQA-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.93
Rot. Bonds5

About 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate

2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate (PubChem CID 110167914) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate
PubChem CID110167914
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate
SMILESO.O=C(Nc1ccncc1)C(=O)c1cn(CC2CCCC2)c2ccc(O)cc12
InChIInChI=1S/C21H21N3O3.H2O/c25-16-5-6-19-17(11-16)18(13-24(19)12-14-3-1-2-4-14)20(26)21(27)23-15-7-9-22-10-8-15;/h5-11,13-14,25H,1-4,12H2,(H,22,23,27);1H2
InChIKeyOLXDDVMUEDACQA-UHFFFAOYSA-N
XLogP2.93
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate?
The IUPAC name of 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate (CID 110167914) is 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate?
The canonical SMILES for 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate is O.O=C(Nc1ccncc1)C(=O)c1cn(CC2CCCC2)c2ccc(O)cc12.
What is the InChIKey of 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate?
The InChIKey is OLXDDVMUEDACQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3.H2O/c25-16-5-6-19-17(11-16)18(13-24(19)12-14-3-1-2-4-14)20(26)21(27)23-15-7-9-22-10-8-15;/h5-11,13-14,25H,1-4,12H2,(H,22,23,27);1H2.
What are the key properties of 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate?
2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate has a molecular weight of 381.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)-5-hydroxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;hydrate is sourced from PubChem (CID 110167914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).