[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C15H21N3O2 — CID 105070176

IUPAC[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCNc1cnccc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H21N3O2/c1-2-17-14-9-16-6-5-13(14)15(20)18-10-3-4-11(18)8-12(19)7-10/h5-6,9-12,17,19H,2-4,7-8H2,1H3
InChIKeyYPUMEMVEYYRLSU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.64
Rot. Bonds3

About [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 105070176) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID105070176
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCNc1cnccc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H21N3O2/c1-2-17-14-9-16-6-5-13(14)15(20)18-10-3-4-11(18)8-12(19)7-10/h5-6,9-12,17,19H,2-4,7-8H2,1H3
InChIKeyYPUMEMVEYYRLSU-UHFFFAOYSA-N
XLogP1.64
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 105070176) is [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CCNc1cnccc1C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is YPUMEMVEYYRLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-17-14-9-16-6-5-13(14)15(20)18-10-3-4-11(18)8-12(19)7-10/h5-6,9-12,17,19H,2-4,7-8H2,1H3.
What are the key properties of [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 105070176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).