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

C9H12N2O2 — CID 43263657

IUPAC2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCCN(C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C9H12N2O2/c1-3-11(2)8-6-7(9(12)13)4-5-10-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyVLFFQHUQKGLBEA-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.24
Rot. Bonds3

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

2-[ethyl(methyl)amino]pyridine-4-carboxylic acid (PubChem CID 43263657) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
PubChem CID43263657
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCCN(C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C9H12N2O2/c1-3-11(2)8-6-7(9(12)13)4-5-10-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyVLFFQHUQKGLBEA-UHFFFAOYSA-N
XLogP1.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871
2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 55025543
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 61411727
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 122629206
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid
CID 115273457
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid (CID 43263657) is 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid is CCN(C)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid?
The InChIKey is VLFFQHUQKGLBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-11(2)8-6-7(9(12)13)4-5-10-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid?
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 43263657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).