4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide

C11H13N3O — CID 91467094

IUPAC4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide
SMILESNC(=O)C1=CCC=NC2N=CC=CC2C1
InChIInChI=1S/C11H13N3O/c12-10(15)8-3-1-5-13-11-9(7-8)4-2-6-14-11/h2-6,9,11H,1,7H2,(H2,12,15)
InChIKeyREUGPRLNNQHCAH-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.85
Rot. Bonds1

About 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide

4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide (PubChem CID 91467094) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide.

Molecular Properties

Compound Name4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide
PubChem CID91467094
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide
SMILESNC(=O)C1=CCC=NC2N=CC=CC2C1
InChIInChI=1S/C11H13N3O/c12-10(15)8-3-1-5-13-11-9(7-8)4-2-6-14-11/h2-6,9,11H,1,7H2,(H2,12,15)
InChIKeyREUGPRLNNQHCAH-UHFFFAOYSA-N
XLogP0.85
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propyl-2,3-dihydropyridine-4-carboxamide
CID 142050785

Frequently Asked Questions

What is the IUPAC name of 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide?
The IUPAC name of 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide (CID 91467094) is 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide.
What is the SMILES notation for 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide?
The canonical SMILES for 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide is NC(=O)C1=CCC=NC2N=CC=CC2C1.
What is the InChIKey of 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide?
The InChIKey is REUGPRLNNQHCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10(15)8-3-1-5-13-11-9(7-8)4-2-6-14-11/h2-6,9,11H,1,7H2,(H2,12,15).
What are the key properties of 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide?
4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,8,10a-tetrahydropyrido[2,3-b]azocine-6-carboxamide is sourced from PubChem (CID 91467094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).