11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one

C16H17N3O — CID 121444072

IUPAC11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCCN1c2ccccc2C(=O)N(C)c2ccc(C)nc21
InChIInChI=1S/C16H17N3O/c1-4-19-13-8-6-5-7-12(13)16(20)18(3)14-10-9-11(2)17-15(14)19/h5-10H,4H2,1-3H3
InChIKeyOSWZHLUATFRYFM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.14
Rot. Bonds1

About 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one

11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 121444072) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID121444072
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCCN1c2ccccc2C(=O)N(C)c2ccc(C)nc21
InChIInChI=1S/C16H17N3O/c1-4-19-13-8-6-5-7-12(13)16(20)18(3)14-10-9-11(2)17-15(14)19/h5-10H,4H2,1-3H3
InChIKeyOSWZHLUATFRYFM-UHFFFAOYSA-N
XLogP3.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 120053
AQ-RA 741
CID 129989
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3,4-dihydro-1H-benzo[b]azepine-2,5-dione
CID 11237664
AF-DX-384
CID 119357
Src-820 R
CID 63120
Propizepine
CID 112029
5H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 11-ethyl-6,11-dihydro-6-methyl-
CID 453251
N6,N11-Diethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453254

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one (CID 121444072) is 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one is CCN1c2ccccc2C(=O)N(C)c2ccc(C)nc21.
What is the InChIKey of 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is OSWZHLUATFRYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-19-13-8-6-5-7-12(13)16(20)18(3)14-10-9-11(2)17-15(14)19/h5-10H,4H2,1-3H3.
What are the key properties of 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one?
11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 267.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2,5-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 121444072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).