4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C14H19N3O — CID 114247708

IUPAC4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESNc1cccc(CN2CC3CC4CC3C2C4O)n1
InChIInChI=1S/C14H19N3O/c15-12-3-1-2-10(16-12)7-17-6-9-4-8-5-11(9)13(17)14(8)18/h1-3,8-9,11,13-14,18H,4-7H2,(H2,15,16)
InChIKeyAOJLUNLCNMEPQS-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.86
Rot. Bonds2

About 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 114247708) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID114247708
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESNc1cccc(CN2CC3CC4CC3C2C4O)n1
InChIInChI=1S/C14H19N3O/c15-12-3-1-2-10(16-12)7-17-6-9-4-8-5-11(9)13(17)14(8)18/h1-3,8-9,11,13-14,18H,4-7H2,(H2,15,16)
InChIKeyAOJLUNLCNMEPQS-UHFFFAOYSA-N
XLogP0.86
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 114247708) is 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is Nc1cccc(CN2CC3CC4CC3C2C4O)n1.
What is the InChIKey of 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is AOJLUNLCNMEPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-12-3-1-2-10(16-12)7-17-6-9-4-8-5-11(9)13(17)14(8)18/h1-3,8-9,11,13-14,18H,4-7H2,(H2,15,16).
What are the key properties of 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 114247708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).