4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol

C13H19N3O — CID 105365733

IUPAC4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCc1ccnc(N)c1C1(O)CCN2CCC1C2
InChIInChI=1S/C13H19N3O/c1-9-2-5-15-12(14)11(9)13(17)4-7-16-6-3-10(13)8-16/h2,5,10,17H,3-4,6-8H2,1H3,(H2,14,15)
InChIKeyBUEQKGBTDPNQRC-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.89
Rot. Bonds1

About 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol

4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365733) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365733
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCc1ccnc(N)c1C1(O)CCN2CCC1C2
InChIInChI=1S/C13H19N3O/c1-9-2-5-15-12(14)11(9)13(17)4-7-16-6-3-10(13)8-16/h2,5,10,17H,3-4,6-8H2,1H3,(H2,14,15)
InChIKeyBUEQKGBTDPNQRC-UHFFFAOYSA-N
XLogP0.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365733) is 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol is Cc1ccnc(N)c1C1(O)CCN2CCC1C2.
What is the InChIKey of 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is BUEQKGBTDPNQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-2-5-15-12(14)11(9)13(17)4-7-16-6-3-10(13)8-16/h2,5,10,17H,3-4,6-8H2,1H3,(H2,14,15).
What are the key properties of 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 233.31 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).