1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol

C16H19N3O — CID 43690629

IUPAC1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C)c1ccc(NC2CCc3c(O)cccc32)cn1
InChIInChI=1S/C16H19N3O/c1-19(2)16-9-6-11(10-17-16)18-14-8-7-13-12(14)4-3-5-15(13)20/h3-6,9-10,14,18,20H,7-8H2,1-2H3
InChIKeyXISXJOKGGOOLRF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.95
Rot. Bonds3

About 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol

1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 43690629) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID43690629
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C)c1ccc(NC2CCc3c(O)cccc32)cn1
InChIInChI=1S/C16H19N3O/c1-19(2)16-9-6-11(10-17-16)18-14-8-7-13-12(14)4-3-5-15(13)20/h3-6,9-10,14,18,20H,7-8H2,1-2H3
InChIKeyXISXJOKGGOOLRF-UHFFFAOYSA-N
XLogP2.95
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol (CID 43690629) is 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol is CN(C)c1ccc(NC2CCc3c(O)cccc32)cn1.
What is the InChIKey of 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is XISXJOKGGOOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)16-9-6-11(10-17-16)18-14-8-7-13-12(14)4-3-5-15(13)20/h3-6,9-10,14,18,20H,7-8H2,1-2H3.
What are the key properties of 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol?
1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 269.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43690629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).