[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium

C12H19N2O2+ — CID 163669124

IUPAC[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium
SMILESCOC1CCC(n2cccc([NH3+])c2=O)CC1
InChIInChI=1S/C12H18N2O2/c1-16-10-6-4-9(5-7-10)14-8-2-3-11(13)12(14)15/h2-3,8-10H,4-7,13H2,1H3/p+1
InChIKeyJAZJIBWVLFUZOQ-UHFFFAOYSA-O
MW223.30 g/mol
LogP0.85
Rot. Bonds2

About [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium

[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium (PubChem CID 163669124) has the molecular formula C12H19N2O2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium.

Molecular Properties

Compound Name[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium
PubChem CID163669124
Molecular FormulaC12H19N2O2+
Molecular Weight223.30 g/mol
Exact Mass223.14
IUPAC Name[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium
SMILESCOC1CCC(n2cccc([NH3+])c2=O)CC1
InChIInChI=1S/C12H18N2O2/c1-16-10-6-4-9(5-7-10)14-8-2-3-11(13)12(14)15/h2-3,8-10H,4-7,13H2,1H3/p+1
InChIKeyJAZJIBWVLFUZOQ-UHFFFAOYSA-O
XLogP0.85
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium?
The IUPAC name of [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium (CID 163669124) is [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium.
What is the SMILES notation for [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium?
The canonical SMILES for [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium is COC1CCC(n2cccc([NH3+])c2=O)CC1.
What is the InChIKey of [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium?
The InChIKey is JAZJIBWVLFUZOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N2O2/c1-16-10-6-4-9(5-7-10)14-8-2-3-11(13)12(14)15/h2-3,8-10H,4-7,13H2,1H3/p+1.
What are the key properties of [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium?
[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium has a molecular weight of 223.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]azanium is sourced from PubChem (CID 163669124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).