3-Amino-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one

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Basic information

CAS: 133627-16-4
Standard SMILES: CCN1c2ncccc2C(=O)N(C)c2cc(N)cnc21
InChIKey: RDAHOUGZNADMQV-UHFFFAOYSA-N
Molecular formula: C14H15N5O
Average molar mass: 269.3 g/mol
Monoisotopic mass: 269.12766012

Names & identifiers

Preferred name: 3-Amino-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
IUPAC: 6-amino-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Names & synonyms

133627-16-43-Amino-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one3-Amino-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL72916DTXSID601582533-amino-11-ethyl-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one3-Amino-11-ethyl-5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Database identifiers

CAS: 133627-16-4
PubChem CID: 453330
DTXSID: DTXSID60158253
ChEMBL: CHEMBL72916
Nikkaji: J420.598G

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 75.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 377

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Compound notes

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