2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid

C10H14N2O2 — CID 122629206

IUPAC2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCN(C)Cc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H14N2O2/c1-3-12(2)7-9-6-8(10(13)14)4-5-11-9/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyAFENIJJYQWYMRH-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.23
Rot. Bonds4

About 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid

2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 122629206) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID122629206
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCN(C)Cc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H14N2O2/c1-3-12(2)7-9-6-8(10(13)14)4-5-11-9/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyAFENIJJYQWYMRH-UHFFFAOYSA-N
XLogP1.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 126755730
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid
CID 166305008
2-[[[2-[2-[butyl(methyl)amino]ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylic acid
CID 177383169
2-(2,2,2-trimethoxyethyl)pyridine-4-carboxylic acid
CID 68836420
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
2-[[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325372
2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325323
ethane;2-ethylpyridine-4-carboxylic acid;5-fluoro-6-methylpyridine-3-carboxylic acid
CID 145419435
4-[[2-(aminomethyl)pyridine-4-carbonyl]-methylamino]benzoic acid
CID 104698663
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid (CID 122629206) is 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid is CCN(C)Cc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is AFENIJJYQWYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-12(2)7-9-6-8(10(13)14)4-5-11-9/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122629206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).