5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide

C12H16N4O2 — CID 66393828

IUPAC5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1N1CC2CCC(C1)O2
InChIInChI=1S/C12H16N4O2/c13-7-3-10(11(14)17)12(15-4-7)16-5-8-1-2-9(6-16)18-8/h3-4,8-9H,1-2,5-6,13H2,(H2,14,17)
InChIKeyZBWVCIHMPFQYOG-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.13
Rot. Bonds2

About 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide

5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide (PubChem CID 66393828) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
PubChem CID66393828
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1N1CC2CCC(C1)O2
InChIInChI=1S/C12H16N4O2/c13-7-3-10(11(14)17)12(15-4-7)16-5-8-1-2-9(6-16)18-8/h3-4,8-9H,1-2,5-6,13H2,(H2,14,17)
InChIKeyZBWVCIHMPFQYOG-UHFFFAOYSA-N
XLogP0.13
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide (CID 66393828) is 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1N1CC2CCC(C1)O2.
What is the InChIKey of 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide?
The InChIKey is ZBWVCIHMPFQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-7-3-10(11(14)17)12(15-4-7)16-5-8-1-2-9(6-16)18-8/h3-4,8-9H,1-2,5-6,13H2,(H2,14,17).
What are the key properties of 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide?
5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66393828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).