2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

C17H20N2O2 — CID 115510921

IUPAC2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1cccnc1N)CC2
InChIInChI=1S/C17H20N2O2/c1-21-15-5-4-12-6-7-17(20,11-14(12)9-15)10-13-3-2-8-19-16(13)18/h2-5,8-9,20H,6-7,10-11H2,1H3,(H2,18,19)
InChIKeyXLJTVYRJYLZVKR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds3

About 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115510921) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115510921
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1cccnc1N)CC2
InChIInChI=1S/C17H20N2O2/c1-21-15-5-4-12-6-7-17(20,11-14(12)9-15)10-13-3-2-8-19-16(13)18/h2-5,8-9,20H,6-7,10-11H2,1H3,(H2,18,19)
InChIKeyXLJTVYRJYLZVKR-UHFFFAOYSA-N
XLogP2.13
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (CID 115510921) is 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(Cc1cccnc1N)CC2.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is XLJTVYRJYLZVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-15-5-4-12-6-7-17(20,11-14(12)9-15)10-13-3-2-8-19-16(13)18/h2-5,8-9,20H,6-7,10-11H2,1H3,(H2,18,19).
What are the key properties of 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 284.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115510921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).