[4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate

C23H20N2O3 — CID 86955688

IUPAC[4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate
SMILESO=C(CC1CCc2ccccc21)Oc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C23H20N2O3/c26-22(14-18-8-7-16-4-1-2-6-21(16)18)28-20-11-9-17(10-12-20)23(27)25-19-5-3-13-24-15-19/h1-6,9-13,15,18H,7-8,14H2,(H,25,27)
InChIKeyOOLYCBRRNQLQEX-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.36
Rot. Bonds5

About [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate

[4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 86955688) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Name[4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID86955688
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name[4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate
SMILESO=C(CC1CCc2ccccc21)Oc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C23H20N2O3/c26-22(14-18-8-7-16-4-1-2-6-21(16)18)28-20-11-9-17(10-12-20)23(27)25-19-5-3-13-24-15-19/h1-6,9-13,15,18H,7-8,14H2,(H,25,27)
InChIKeyOOLYCBRRNQLQEX-UHFFFAOYSA-N
XLogP4.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
CID 2995644
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
2-(2,3-dihydro-1H-inden-1-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86955542
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
[4-(pyridin-3-ylcarbamoyl)phenyl] 1-benzofuran-3-carboxylate
CID 86946388
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
6-cyclopropyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 175906033
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate (CID 86955688) is [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate is O=C(CC1CCc2ccccc21)Oc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is OOLYCBRRNQLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(14-18-8-7-16-4-1-2-6-21(16)18)28-20-11-9-17(10-12-20)23(27)25-19-5-3-13-24-15-19/h1-6,9-13,15,18H,7-8,14H2,(H,25,27).
What are the key properties of [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate?
[4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 372.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylcarbamoyl)phenyl] 2-(2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 86955688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).