3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol

C20H18N2O — CID 15604056

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)cc(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C20H18N2O/c23-20-11-17(16-7-6-14-3-1-4-15(14)9-16)10-19(12-20)22-18-5-2-8-21-13-18/h2,5-13,22-23H,1,3-4H2
InChIKeyQEJDAWXLJYQFFE-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.69
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol

3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol (PubChem CID 15604056) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol
PubChem CID15604056
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol
SMILESOc1cc(Nc2cccnc2)cc(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C20H18N2O/c23-20-11-17(16-7-6-14-3-1-4-15(14)9-16)10-19(12-20)22-18-5-2-8-21-13-18/h2,5-13,22-23H,1,3-4H2
InChIKeyQEJDAWXLJYQFFE-UHFFFAOYSA-N
XLogP4.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-phenylphenyl)-5-(pyridin-3-ylamino)phenol
CID 68841722
3-(2-chlorophenyl)-5-(pyridin-3-ylamino)phenol
CID 25115111
4-[3-hydroxy-5-(pyridin-3-ylamino)phenyl]-1,3-dihydroindol-2-one
CID 15604182
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
2-(2,3-dihydro-1H-inden-5-yl)pyrazine
CID 141313830
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092990
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 39853783
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 30859604
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413832
2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
CID 72715312
3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
CID 139563091

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol (CID 15604056) is 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol is Oc1cc(Nc2cccnc2)cc(-c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol?
The InChIKey is QEJDAWXLJYQFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20-11-17(16-7-6-14-3-1-4-15(14)9-16)10-19(12-20)22-18-5-2-8-21-13-18/h2,5-13,22-23H,1,3-4H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol?
3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol has a molecular weight of 302.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-5-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 15604056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).