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

C17H20N2O2 — CID 61379245

IUPAC1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)Oc1ncccc1NC1CCc2c(O)cccc21
InChIInChI=1S/C17H20N2O2/c1-11(2)21-17-15(6-4-10-18-17)19-14-9-8-13-12(14)5-3-7-16(13)20/h3-7,10-11,14,19-20H,8-9H2,1-2H3
InChIKeyVEQQBFZQFSPHAB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.67
Rot. Bonds4

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

1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 61379245) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID61379245
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)Oc1ncccc1NC1CCc2c(O)cccc21
InChIInChI=1S/C17H20N2O2/c1-11(2)21-17-15(6-4-10-18-17)19-14-9-8-13-12(14)5-3-7-16(13)20/h3-7,10-11,14,19-20H,8-9H2,1-2H3
InChIKeyVEQQBFZQFSPHAB-UHFFFAOYSA-N
XLogP3.67
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol (CID 61379245) is 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol is CC(C)Oc1ncccc1NC1CCc2c(O)cccc21.
What is the InChIKey of 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is VEQQBFZQFSPHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)21-17-15(6-4-10-18-17)19-14-9-8-13-12(14)5-3-7-16(13)20/h3-7,10-11,14,19-20H,8-9H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 284.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 61379245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).