6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid

C11H13N3O2 — CID 80632148

IUPAC6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)CCC#N
InChIInChI=1S/C11H13N3O2/c1-8-6-9(11(15)16)7-13-10(8)14(2)5-3-4-12/h6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyOGMWXDXIJNVNJJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.44
Rot. Bonds4

About 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid

6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid (PubChem CID 80632148) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
PubChem CID80632148
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)CCC#N
InChIInChI=1S/C11H13N3O2/c1-8-6-9(11(15)16)7-13-10(8)14(2)5-3-4-12/h6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyOGMWXDXIJNVNJJ-UHFFFAOYSA-N
XLogP1.44
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid (CID 80632148) is 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(C)CCC#N.
What is the InChIKey of 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid?
The InChIKey is OGMWXDXIJNVNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-6-9(11(15)16)7-13-10(8)14(2)5-3-4-12/h6-7H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid?
6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80632148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).