1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide

C14H16N2O3 — CID 156771635

IUPAC1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
SMILESCOc1cc(C23CCC(O2)C2CC23C(N)=O)ccn1
InChIInChI=1S/C14H16N2O3/c1-18-11-6-8(3-5-16-11)14-4-2-10(19-14)9-7-13(9,14)12(15)17/h3,5-6,9-10H,2,4,7H2,1H3,(H2,15,17)
InChIKeyNPOCZLUUDTYVHM-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.97
Rot. Bonds3

About 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide

1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide (PubChem CID 156771635) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
PubChem CID156771635
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
SMILESCOc1cc(C23CCC(O2)C2CC23C(N)=O)ccn1
InChIInChI=1S/C14H16N2O3/c1-18-11-6-8(3-5-16-11)14-4-2-10(19-14)9-7-13(9,14)12(15)17/h3,5-6,9-10H,2,4,7H2,1H3,(H2,15,17)
InChIKeyNPOCZLUUDTYVHM-UHFFFAOYSA-N
XLogP0.97
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide (CID 156771635) is 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide is COc1cc(C23CCC(O2)C2CC23C(N)=O)ccn1.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?
The InChIKey is NPOCZLUUDTYVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-11-6-8(3-5-16-11)14-4-2-10(19-14)9-7-13(9,14)12(15)17/h3,5-6,9-10H,2,4,7H2,1H3,(H2,15,17).
What are the key properties of 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?
1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide is sourced from PubChem (CID 156771635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).