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3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester

HCID 3076989
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Basic information

CAS
133147-19-0
Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)OC2CCCC2)C1c1cccc([N+](=O)[O-])c1
InChIKey
OBVQYAVKYLSLTN-UHFFFAOYSA-N
Molecular formula
C22H27N3O6
Average molar mass
429.5 g/mol
Monoisotopic mass
429.18998559

Names & identifiers

Preferred name
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
IUPAC
methyl 5-[cyclopentyloxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Names & synonyms

BRN 4277878133147-19-03-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl esterRefChem:282188DTXSID90927974Methyl 5-[(cyclopentyloxy)(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Database identifiers

CAS
133147-19-0
PubChem CID
3076989
DTXSID
DTXSID90927974
Nikkaji
J362.614H

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
114 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
794

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