5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol

C14H18N2O2S — CID 115742670

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1ccc(CNCc2c(CO)cnc(C)c2O)s1
InChIInChI=1S/C14H18N2O2S/c1-9-3-4-12(19-9)6-15-7-13-11(8-17)5-16-10(2)14(13)18/h3-5,15,17-18H,6-8H2,1-2H3
InChIKeyGCBUYXFEGUIYJU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.25
Rot. Bonds5

About 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol (PubChem CID 115742670) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol
PubChem CID115742670
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1ccc(CNCc2c(CO)cnc(C)c2O)s1
InChIInChI=1S/C14H18N2O2S/c1-9-3-4-12(19-9)6-15-7-13-11(8-17)5-16-10(2)14(13)18/h3-5,15,17-18H,6-8H2,1-2H3
InChIKeyGCBUYXFEGUIYJU-UHFFFAOYSA-N
XLogP2.25
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol (CID 115742670) is 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol is Cc1ccc(CNCc2c(CO)cnc(C)c2O)s1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol?
The InChIKey is GCBUYXFEGUIYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-3-4-12(19-9)6-15-7-13-11(8-17)5-16-10(2)14(13)18/h3-5,15,17-18H,6-8H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol has a molecular weight of 278.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 115742670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).