1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol

C16H19N3O — CID 107682026

IUPAC1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN(C)c1ccc(NC2CCc3cc(O)ccc32)cn1
InChIInChI=1S/C16H19N3O/c1-19(2)16-8-4-12(10-17-16)18-15-7-3-11-9-13(20)5-6-14(11)15/h4-6,8-10,15,18,20H,3,7H2,1-2H3
InChIKeyRHIDPILENHYQFU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.95
Rot. Bonds3

About 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol

1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682026) 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-5-ol.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107682026
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN(C)c1ccc(NC2CCc3cc(O)ccc32)cn1
InChIInChI=1S/C16H19N3O/c1-19(2)16-8-4-12(10-17-16)18-15-7-3-11-9-13(20)5-6-14(11)15/h4-6,8-10,15,18,20H,3,7H2,1-2H3
InChIKeyRHIDPILENHYQFU-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-5-ol?
The IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol (CID 107682026) is 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol is CN(C)c1ccc(NC2CCc3cc(O)ccc32)cn1.
What is the InChIKey of 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is RHIDPILENHYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)16-8-4-12(10-17-16)18-15-7-3-11-9-13(20)5-6-14(11)15/h4-6,8-10,15,18,20H,3,7H2,1-2H3.
What are the key properties of 1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol?
1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-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-5-ol is sourced from PubChem (CID 107682026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).