2-Allylamino-6-methylnicotinic acid methyl ester

HCID 12818656
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Basic information

Standard SMILES
C=CCNc1nc(C)ccc1C(=O)OC
InChIKey
DFHAYCJGNDWFRP-UHFFFAOYSA-N
Molecular formula
C11H14N2O2
Average molar mass
206.24 g/mol

Names & identifiers

Preferred name
2-Allylamino-6-methylnicotinic acid methyl ester
IUPAC
methyl 6-methyl-2-(prop-2-enylamino)pyridine-3-carboxylate

Names & synonyms

78997-37-22-allylamino-6-methylnicotinic acid methyl esterSCHEMBL11489840DFHAYCJGNDWFRP-UHFFFAOYSA-N3-pyridinecarboxylic acid,6-methyl-2-(2-propenylamino)-,methyl ester2-allylamino-6-methylnicotinic acid, methyl ester

Database identifiers

PubChem CID
12818656

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
51.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15

Related reactions

3 records
New reaction record

Linked notes

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