6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid

C12H18N2O3 — CID 106904972

IUPAC6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid
SMILESCCOC(C)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-3-17-9(2)7-13-8-10-5-4-6-11(14-10)12(15)16/h4-6,9,13H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyOYLBYQMXFBNELV-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.29
Rot. Bonds7

About 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid

6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904972) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid
PubChem CID106904972
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid
SMILESCCOC(C)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-3-17-9(2)7-13-8-10-5-4-6-11(14-10)12(15)16/h4-6,9,13H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyOYLBYQMXFBNELV-UHFFFAOYSA-N
XLogP1.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[[(2-ethyl-4-hydroxybutyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904840
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106178072
4-[(2-ethoxypropylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103265974
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid
CID 106904547

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid (CID 106904972) is 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid is CCOC(C)CNCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is OYLBYQMXFBNELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-9(2)7-13-8-10-5-4-6-11(14-10)12(15)16/h4-6,9,13H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid?
6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).