3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid

C10H11N3O2 — CID 105062562

IUPAC3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(CCC#N)c1cnccc1C(=O)O
InChIInChI=1S/C10H11N3O2/c1-13(6-2-4-11)9-7-12-5-3-8(9)10(14)15/h3,5,7H,2,6H2,1H3,(H,14,15)
InChIKeyZXHWEVAXIZAUAO-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.13
Rot. Bonds4

About 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid

3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid (PubChem CID 105062562) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid
PubChem CID105062562
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(CCC#N)c1cnccc1C(=O)O
InChIInChI=1S/C10H11N3O2/c1-13(6-2-4-11)9-7-12-5-3-8(9)10(14)15/h3,5,7H,2,6H2,1H3,(H,14,15)
InChIKeyZXHWEVAXIZAUAO-UHFFFAOYSA-N
XLogP1.13
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 114288792
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pyridine-4-carboxylic acid
CID 105062513
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062611
3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062817
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
CID 114288707
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
2-[2-cyanoethyl(methyl)amino]quinoline-3-carboxylic acid
CID 28952125
N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81255891
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid (CID 105062562) is 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid is CN(CCC#N)c1cnccc1C(=O)O.
What is the InChIKey of 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid?
The InChIKey is ZXHWEVAXIZAUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13(6-2-4-11)9-7-12-5-3-8(9)10(14)15/h3,5,7H,2,6H2,1H3,(H,14,15).
What are the key properties of 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid?
3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).