4-(1-Ethyl-propylamino)-6-methyl-2-(2,4,6-trimethyl-phenylamino)-nicotinic acid methyl ester

HCID 69587262
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Basic information

Standard SMILES
CCC(CC)Nc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C(=O)OC
InChIKey
ACROQRSEVOSSDG-UHFFFAOYSA-N
Molecular formula
C22H31N3O2
Average molar mass
369.5 g/mol
Monoisotopic mass
369.24162724

Names & identifiers

Preferred name
4-(1-Ethyl-propylamino)-6-methyl-2-(2,4,6-trimethyl-phenylamino)-nicotinic acid methyl ester
IUPAC
methyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylanilino)pyridine-3-carboxylate

Names & synonyms

SCHEMBL5842983ACROQRSEVOSSDG-UHFFFAOYSA-N4-(1-Ethyl-propylamino)-6-methyl-2-(2,4,6-trimethyl-phenylamino)-nicotinic acid methyl ester

Database identifiers

PubChem CID
69587262

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

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