ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine

C16H26N2O — CID 171538364

IUPACethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine
SMILESCC.COC1=CC=C(C2C=CC=CN2C)N(C)C1C
InChIInChI=1S/C14H20N2O.C2H6/c1-11-14(17-4)9-8-13(16(11)3)12-7-5-6-10-15(12)2;1-2/h5-12H,1-4H3;1-2H3
InChIKeyAXQJRRZPMKQXHK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.14
Rot. Bonds2

About ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine

ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine (PubChem CID 171538364) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine.

Molecular Properties

Compound Nameethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine
PubChem CID171538364
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Nameethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine
SMILESCC.COC1=CC=C(C2C=CC=CN2C)N(C)C1C
InChIInChI=1S/C14H20N2O.C2H6/c1-11-14(17-4)9-8-13(16(11)3)12-7-5-6-10-15(12)2;1-2/h5-12H,1-4H3;1-2H3
InChIKeyAXQJRRZPMKQXHK-UHFFFAOYSA-N
XLogP3.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine?
The IUPAC name of ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine (CID 171538364) is ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine.
What is the SMILES notation for ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine?
The canonical SMILES for ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine is CC.COC1=CC=C(C2C=CC=CN2C)N(C)C1C.
What is the InChIKey of ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine?
The InChIKey is AXQJRRZPMKQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C2H6/c1-11-14(17-4)9-8-13(16(11)3)12-7-5-6-10-15(12)2;1-2/h5-12H,1-4H3;1-2H3.
What are the key properties of ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine?
ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine has a molecular weight of 262.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-1,2-dimethyl-6-(1-methyl-2H-pyridin-2-yl)-2H-pyridine is sourced from PubChem (CID 171538364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).