6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol

C16H22N4O2 — CID 128998219

IUPAC6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC2CCOC(c3cncn3C)C2)n1
InChIInChI=1S/C16H22N4O2/c1-11-3-4-15(21)13(19-11)8-18-12-5-6-22-16(7-12)14-9-17-10-20(14)2/h3-4,9-10,12,16,18,21H,5-8H2,1-2H3
InChIKeyGAVUOLXHSUXIQK-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.84
Rot. Bonds4

About 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol

6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol (PubChem CID 128998219) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
PubChem CID128998219
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC2CCOC(c3cncn3C)C2)n1
InChIInChI=1S/C16H22N4O2/c1-11-3-4-15(21)13(19-11)8-18-12-5-6-22-16(7-12)14-9-17-10-20(14)2/h3-4,9-10,12,16,18,21H,5-8H2,1-2H3
InChIKeyGAVUOLXHSUXIQK-UHFFFAOYSA-N
XLogP1.84
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol (CID 128998219) is 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNC2CCOC(c3cncn3C)C2)n1.
What is the InChIKey of 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol?
The InChIKey is GAVUOLXHSUXIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-3-4-15(21)13(19-11)8-18-12-5-6-22-16(7-12)14-9-17-10-20(14)2/h3-4,9-10,12,16,18,21H,5-8H2,1-2H3.
What are the key properties of 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol?
6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol has a molecular weight of 302.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 128998219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).