methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate

C14H22N2O3 — CID 107200733

IUPACmethyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C)CCCCCO)nc1
InChIInChI=1S/C14H22N2O3/c1-16(8-4-3-5-9-17)11-13-7-6-12(10-15-13)14(18)19-2/h6-7,10,17H,3-5,8-9,11H2,1-2H3
InChIKeyOWTHBBZRWWNRSD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.46
Rot. Bonds8

About methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate

methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate (PubChem CID 107200733) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate
PubChem CID107200733
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C)CCCCCO)nc1
InChIInChI=1S/C14H22N2O3/c1-16(8-4-3-5-9-17)11-13-7-6-12(10-15-13)14(18)19-2/h6-7,10,17H,3-5,8-9,11H2,1-2H3
InChIKeyOWTHBBZRWWNRSD-UHFFFAOYSA-N
XLogP1.46
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl Nicotinate
CID 7151
Ethyl Nicotinate
CID 69188
Dipropyl isocinchomeronate
CID 8693
Benzyl Nicotinate
CID 7191
2,5-Pyridinedicarboxylic acid
CID 7493
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Hexyl nicotinate
CID 90202
Isopropyl nicotinate
CID 68379
Butyl nicotinate
CID 81353
Nicametate
CID 71650
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate (CID 107200733) is methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(C)CCCCCO)nc1.
What is the InChIKey of methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is OWTHBBZRWWNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(8-4-3-5-9-17)11-13-7-6-12(10-15-13)14(18)19-2/h6-7,10,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate?
methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 107200733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).