6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid

C13H21N3O3 — CID 114127595

IUPAC6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid
SMILESCN(C)CCOCCNCc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H21N3O3/c1-16(2)6-8-19-7-5-14-10-12-4-3-11(9-15-12)13(17)18/h3-4,9,14H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyVYMCDBYLUCSSPB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.45
Rot. Bonds9

About 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid

6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 114127595) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid
PubChem CID114127595
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid
SMILESCN(C)CCOCCNCc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H21N3O3/c1-16(2)6-8-19-7-5-14-10-12-4-3-11(9-15-12)13(17)18/h3-4,9,14H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyVYMCDBYLUCSSPB-UHFFFAOYSA-N
XLogP0.45
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 81057242
6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
CID 113405119
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 79776683
6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 106133497
methyl 6-[(3-ethylsulfanylpropylamino)methyl]pyridine-3-carboxylate
CID 114248126
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511
6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid
CID 81177066
methyl 6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]pyridine-3-carboxylate
CID 115359742
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
6-[[(4-methoxy-3-methylphenyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 166258581

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid (CID 114127595) is 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid is CN(C)CCOCCNCc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is VYMCDBYLUCSSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(2)6-8-19-7-5-14-10-12-4-3-11(9-15-12)13(17)18/h3-4,9,14H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid?
6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114127595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).