N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide

C13H20N2O4 — CID 130269166

IUPACN-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide
SMILESCc1cc([N+](C)([O-])O)c(C)nc1OC1CCOCC1
InChIInChI=1S/C13H20N2O4/c1-9-8-12(15(3,16)17)10(2)14-13(9)19-11-4-6-18-7-5-11/h8,11,16H,4-7H2,1-3H3
InChIKeyFBVZFZQYMCHVBR-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.08
Rot. Bonds3

About N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide

N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide (PubChem CID 130269166) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide.

Molecular Properties

Compound NameN-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide
PubChem CID130269166
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide
SMILESCc1cc([N+](C)([O-])O)c(C)nc1OC1CCOCC1
InChIInChI=1S/C13H20N2O4/c1-9-8-12(15(3,16)17)10(2)14-13(9)19-11-4-6-18-7-5-11/h8,11,16H,4-7H2,1-3H3
InChIKeyFBVZFZQYMCHVBR-UHFFFAOYSA-N
XLogP2.08
TPSA74.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[[4,6-dimethyl-2-(oxan-4-yloxy)-3-pyridinyl]methyl]ethanamine
CID 55058614
3,5-dimethyl-4-(oxan-4-yloxy)benzoic acid
CID 63937445
2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80872310
5-bromo-3-methyl-2-(oxan-4-yloxy)benzoic acid
CID 112620907
6-chloro-3-methyl-2-(oxolan-3-yloxy)pyridine
CID 144854870
2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80873406
4-[4-(chloromethyl)-2,6-dimethylphenoxy]oxane
CID 63936243
5-cyclopropyl-2-cyclopropyloxy-3-methylpyridine
CID 167079716
N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332150
[2,5-dimethyl-6-(oxan-4-yloxy)pyrimidin-4-yl]hydrazine
CID 80919838
N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80873271
4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline
CID 90456808

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide?
The IUPAC name of N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide (CID 130269166) is N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide.
What is the SMILES notation for N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide?
The canonical SMILES for N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide is Cc1cc([N+](C)([O-])O)c(C)nc1OC1CCOCC1.
What is the InChIKey of N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide?
The InChIKey is FBVZFZQYMCHVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-8-12(15(3,16)17)10(2)14-13(9)19-11-4-6-18-7-5-11/h8,11,16H,4-7H2,1-3H3.
What are the key properties of N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide?
N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide has a molecular weight of 268.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N,2,5-trimethyl-6-(oxan-4-yloxy)pyridin-3-amine oxide is sourced from PubChem (CID 130269166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).