5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid

C13H15N3O4 — CID 66371481

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C13H15N3O4/c17-12(18)8-3-9(5-14-4-8)15-13(19)16-6-10-1-2-11(7-16)20-10/h3-5,10-11H,1-2,6-7H2,(H,15,19)(H,17,18)
InChIKeyHCUYZHWVLGPPOT-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.17
Rot. Bonds2

About 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid

5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 66371481) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
PubChem CID66371481
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C13H15N3O4/c17-12(18)8-3-9(5-14-4-8)15-13(19)16-6-10-1-2-11(7-16)20-10/h3-5,10-11H,1-2,6-7H2,(H,15,19)(H,17,18)
InChIKeyHCUYZHWVLGPPOT-UHFFFAOYSA-N
XLogP1.17
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63978450
5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 65282409
2-hydroxy-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 66369326
5-[(2,2-dimethylmorpholine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157892
5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 64694947
4-bromo-3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 107814227
3-chloro-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 66371089
2-[4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66370489
5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157950

Frequently Asked Questions

What is the IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid (CID 66371481) is 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)N2CC3CCC(C2)O3)c1.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is HCUYZHWVLGPPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-12(18)8-3-9(5-14-4-8)15-13(19)16-6-10-1-2-11(7-16)20-10/h3-5,10-11H,1-2,6-7H2,(H,15,19)(H,17,18).
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid?
5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 66371481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).