2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol

C14H18N2O3 — CID 111468723

IUPAC2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(C)(O)c2ccco2)n1
InChIInChI=1S/C14H18N2O3/c1-10-5-6-12(17)11(16-10)8-15-9-14(2,18)13-4-3-7-19-13/h3-7,15,17-18H,8-9H2,1-2H3
InChIKeyNCMYGCIASVBWJN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.69
Rot. Bonds5

About 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol

2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 111468723) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID111468723
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC(C)(O)c2ccco2)n1
InChIInChI=1S/C14H18N2O3/c1-10-5-6-12(17)11(16-10)8-15-9-14(2,18)13-4-3-7-19-13/h3-7,15,17-18H,8-9H2,1-2H3
InChIKeyNCMYGCIASVBWJN-UHFFFAOYSA-N
XLogP1.69
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]phenol
CID 111468701
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468669
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
CID 111468693
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 109477092
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79033199
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
CID 133323859
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 133323807

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol (CID 111468723) is 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCC(C)(O)c2ccco2)n1.
What is the InChIKey of 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is NCMYGCIASVBWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-5-6-12(17)11(16-10)8-15-9-14(2,18)13-4-3-7-19-13/h3-7,15,17-18H,8-9H2,1-2H3.
What are the key properties of 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 262.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 111468723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).