2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol

C17H18F2N2O — CID 126824905

IUPAC2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC2(c3c(F)cccc3F)CCC2)n1
InChIInChI=1S/C17H18F2N2O/c1-11-6-7-15(22)14(21-11)10-20-17(8-3-9-17)16-12(18)4-2-5-13(16)19/h2,4-7,20,22H,3,8-10H2,1H3
InChIKeyTVEXMGCKAYMIPF-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.54
Rot. Bonds4

About 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol

2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 126824905) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID126824905
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC2(c3c(F)cccc3F)CCC2)n1
InChIInChI=1S/C17H18F2N2O/c1-11-6-7-15(22)14(21-11)10-20-17(8-3-9-17)16-12(18)4-2-5-13(16)19/h2,4-7,20,22H,3,8-10H2,1H3
InChIKeyTVEXMGCKAYMIPF-UHFFFAOYSA-N
XLogP3.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol (CID 126824905) is 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNC2(c3c(F)cccc3F)CCC2)n1.
What is the InChIKey of 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is TVEXMGCKAYMIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-11-6-7-15(22)14(21-11)10-20-17(8-3-9-17)16-12(18)4-2-5-13(16)19/h2,4-7,20,22H,3,8-10H2,1H3.
What are the key properties of 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 304.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2,6-difluorophenyl)cyclobutyl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 126824905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).