(5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H19N3O2 — CID 63762866

IUPAC(5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1ncc(N)cc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H19N3O2/c1-8-13(4-9(15)7-16-8)14(19)17-10-2-3-11(17)6-12(18)5-10/h4,7,10-12,18H,2-3,5-6,15H2,1H3
InChIKeyNIMXDOCUJNMKCR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.10
Rot. Bonds1

About (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63762866) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63762866
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1ncc(N)cc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H19N3O2/c1-8-13(4-9(15)7-16-8)14(19)17-10-2-3-11(17)6-12(18)5-10/h4,7,10-12,18H,2-3,5-6,15H2,1H3
InChIKeyNIMXDOCUJNMKCR-UHFFFAOYSA-N
XLogP1.10
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63762866) is (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Cc1ncc(N)cc1C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is NIMXDOCUJNMKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8-13(4-9(15)7-16-8)14(19)17-10-2-3-11(17)6-12(18)5-10/h4,7,10-12,18H,2-3,5-6,15H2,1H3.
What are the key properties of (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63762866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).