10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one

C13H21N3O — CID 98771617

IUPAC10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
SMILESCCc1cc(=O)n2c(c1CCN)NCCCC2
InChIInChI=1S/C13H21N3O/c1-2-10-9-12(17)16-8-4-3-7-15-13(16)11(10)5-6-14/h9,15H,2-8,14H2,1H3
InChIKeyXWSQNJQNMNKTCI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.12
Rot. Bonds3

About 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one

10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one (PubChem CID 98771617) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one.

Molecular Properties

Compound Name10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
PubChem CID98771617
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
SMILESCCc1cc(=O)n2c(c1CCN)NCCCC2
InChIInChI=1S/C13H21N3O/c1-2-10-9-12(17)16-8-4-3-7-15-13(16)11(10)5-6-14/h9,15H,2-8,14H2,1H3
InChIKeyXWSQNJQNMNKTCI-UHFFFAOYSA-N
XLogP1.12
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one with MolForge

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Related Compounds

10-(1-aminoethyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
CID 82626213
10-(2-aminoethyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
CID 82626214
6-(azepan-1-yl)-3-methyl-5-(3-methylbut-2-enyl)-1H-pyrimidine-2,4-dione
CID 4464601
3-hydroxy-7-ethyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-d]azepine dihydrochloride
CID 18943477
7-ethyl-5,6,8,9-tetrahydro-2H-pyrido[3,4-d]azepin-3-one
CID 18943478
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide
CID 46538699
1-[3-(azepan-1-yl)propyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 53514369
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azepane-1-carboxamide
CID 60360145
10-(Aminomethyl)-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
CID 82392329
10-Amino-9-ethyl-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
CID 82392330
10-amino-9-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
CID 82392331
10-(2-Aminoethyl)-1-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
CID 82392334

Frequently Asked Questions

What is the IUPAC name of 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one?
The IUPAC name of 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one (CID 98771617) is 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one.
What is the SMILES notation for 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one?
The canonical SMILES for 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one is CCc1cc(=O)n2c(c1CCN)NCCCC2.
What is the InChIKey of 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one?
The InChIKey is XWSQNJQNMNKTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-10-9-12(17)16-8-4-3-7-15-13(16)11(10)5-6-14/h9,15H,2-8,14H2,1H3.
What are the key properties of 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one?
10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one has a molecular weight of 235.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one is sourced from PubChem (CID 98771617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).