5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol

C14H22N2O2 — CID 114543927

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNC2CCC(C)C2)c1O
InChIInChI=1S/C14H22N2O2/c1-9-3-4-12(5-9)16-7-13-11(8-17)6-15-10(2)14(13)18/h6,9,12,16-18H,3-5,7-8H2,1-2H3
InChIKeyJIXVFLLTMAVYSJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol (PubChem CID 114543927) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol
PubChem CID114543927
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNC2CCC(C)C2)c1O
InChIInChI=1S/C14H22N2O2/c1-9-3-4-12(5-9)16-7-13-11(8-17)6-15-10(2)14(13)18/h6,9,12,16-18H,3-5,7-8H2,1-2H3
InChIKeyJIXVFLLTMAVYSJ-UHFFFAOYSA-N
XLogP1.87
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridoxine
CID 1054
Vitamin B6
CID 104817
Pyridoxamine
CID 1052
Pyridoxine Hydrochloride
CID 6019
Pyridoxamine 5'-phosphate
CID 1053
Pyridoxamine, dihydrochloride
CID 10664
4'-O-Methylpyridoxine
CID 76581
Pyridoxine 5'-phosphate
CID 1055
Deoxypyridoxine
CID 6094
CID 11205997
CID 11205997
N-(5'-Phosphopyridoxyl)-D-Alanine
CID 446862
Metadoxine
CID 115198

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol (CID 114543927) is 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol is Cc1ncc(CO)c(CNC2CCC(C)C2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol?
The InChIKey is JIXVFLLTMAVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-3-4-12(5-9)16-7-13-11(8-17)6-15-10(2)14(13)18/h6,9,12,16-18H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol has a molecular weight of 250.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[(3-methylcyclopentyl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 114543927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).