[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol

C16H20N2O3 — CID 79163828

IUPAC[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCOc1c(C)cnc(COc2ccc(C)nc2CO)c1C
InChIInChI=1S/C16H20N2O3/c1-10-7-17-14(12(3)16(10)20-4)9-21-15-6-5-11(2)18-13(15)8-19/h5-7,19H,8-9H2,1-4H3
InChIKeyZHOJQVWECATQDF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.48
Rot. Bonds5

About [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol

[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol (PubChem CID 79163828) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
PubChem CID79163828
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCOc1c(C)cnc(COc2ccc(C)nc2CO)c1C
InChIInChI=1S/C16H20N2O3/c1-10-7-17-14(12(3)16(10)20-4)9-21-15-6-5-11(2)18-13(15)8-19/h5-7,19H,8-9H2,1-4H3
InChIKeyZHOJQVWECATQDF-UHFFFAOYSA-N
XLogP2.48
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol (CID 79163828) is [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol is COc1c(C)cnc(COc2ccc(C)nc2CO)c1C.
What is the InChIKey of [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The InChIKey is ZHOJQVWECATQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-7-17-14(12(3)16(10)20-4)9-21-15-6-5-11(2)18-13(15)8-19/h5-7,19H,8-9H2,1-4H3.
What are the key properties of [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol?
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol has a molecular weight of 288.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 79163828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).