8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one

C13H12N4O — CID 577842

IUPAC8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESNCc1ccc2c(c1)C(=O)Nc1cccnc1N2
InChIInChI=1S/C13H12N4O/c14-7-8-3-4-10-9(6-8)13(18)17-11-2-1-5-15-12(11)16-10/h1-6H,7,14H2,(H,15,16)(H,17,18)
InChIKeyKNBQBWWSRRMGJS-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.85
Rot. Bonds1

About 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one

8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 577842) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID577842
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESNCc1ccc2c(c1)C(=O)Nc1cccnc1N2
InChIInChI=1S/C13H12N4O/c14-7-8-3-4-10-9(6-8)13(18)17-11-2-1-5-15-12(11)16-10/h1-6H,7,14H2,(H,15,16)(H,17,18)
InChIKeyKNBQBWWSRRMGJS-UHFFFAOYSA-N
XLogP1.85
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
CID 623791
9-bromo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
CID 22156739
13-(2-hydroxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 69342349
(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene
CID 176990310
2-sulfanylidene-1,3,4,6-tetrahydropyrido[3,2-d][1,3,6]triazocin-5-one
CID 91726791
1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
CID 22051603
ethane;2-methylidene-1,3-dihydroimidazo[4,5-b]pyridine
CID 90724739
3-[[5-[3-(aminomethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 72539044
11,23,35,37,39,41-hexakis(3-aminopropoxy)-8,20,32-triazaheptacyclo[32.2.2.210,13.222,25.02,7.014,19.026,31]dotetraconta-1(36),2,4,6,10,12,14,16,18,22,24,26,28,30,34,37,39,41-octadecaene-9,21,33-trione
CID 45276171
6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
CID 58901622
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one
CID 10263976

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one (CID 577842) is 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one is NCc1ccc2c(c1)C(=O)Nc1cccnc1N2.
What is the InChIKey of 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is KNBQBWWSRRMGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-7-8-3-4-10-9(6-8)13(18)17-11-2-1-5-15-12(11)16-10/h1-6H,7,14H2,(H,15,16)(H,17,18).
What are the key properties of 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one?
8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 240.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 577842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).