4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione

C17H11N3O2 — CID 101095307

IUPAC4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione
SMILESO=c1[nH]c(=O)c2[nH]c3ccccc3c2cc1-c1cccnc1
InChIInChI=1S/C17H11N3O2/c21-16-12(10-4-3-7-18-9-10)8-13-11-5-1-2-6-14(11)19-15(13)17(22)20-16/h1-9,19H,(H,20,21,22)
InChIKeyGMWGLPSUKPCTQH-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.43
Rot. Bonds1

About 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione

4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione (PubChem CID 101095307) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione.

Molecular Properties

Compound Name4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione
PubChem CID101095307
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione
SMILESO=c1[nH]c(=O)c2[nH]c3ccccc3c2cc1-c1cccnc1
InChIInChI=1S/C17H11N3O2/c21-16-12(10-4-3-7-18-9-10)8-13-11-5-1-2-6-14(11)19-15(13)17(22)20-16/h1-9,19H,(H,20,21,22)
InChIKeyGMWGLPSUKPCTQH-UHFFFAOYSA-N
XLogP2.43
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
2-pyridin-3-yl-9H-carbazole
CID 175799429
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 135059722
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
CID 90915590
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 155294297
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
(2-pyridin-3-yl-1H-indol-3-yl) butanoate
CID 70194971
4-pyridin-3-yl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-indole
CID 137112879
5-chloro-3-pyridin-3-yl-1H-pyridin-2-one
CID 46315316
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione?
The IUPAC name of 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione (CID 101095307) is 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione.
What is the SMILES notation for 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione?
The canonical SMILES for 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione is O=c1[nH]c(=O)c2[nH]c3ccccc3c2cc1-c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione?
The InChIKey is GMWGLPSUKPCTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-16-12(10-4-3-7-18-9-10)8-13-11-5-1-2-6-14(11)19-15(13)17(22)20-16/h1-9,19H,(H,20,21,22).
What are the key properties of 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione?
4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione has a molecular weight of 289.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione is sourced from PubChem (CID 101095307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).