5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one

C17H15N5O — CID 136657234

IUPAC5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
SMILESO=C1NCCC(=NNc2ccccn2)c2c1[nH]c1ccccc21
InChIInChI=1S/C17H15N5O/c23-17-16-15(11-5-1-2-6-12(11)20-16)13(8-10-19-17)21-22-14-7-3-4-9-18-14/h1-7,9,20H,8,10H2,(H,18,22)(H,19,23)
InChIKeyMGYTXFGAXIKJRJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.51
Rot. Bonds2

About 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one

5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one (PubChem CID 136657234) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one.

Molecular Properties

Compound Name5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
PubChem CID136657234
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
SMILESO=C1NCCC(=NNc2ccccn2)c2c1[nH]c1ccccc21
InChIInChI=1S/C17H15N5O/c23-17-16-15(11-5-1-2-6-12(11)20-16)13(8-10-19-17)21-22-14-7-3-4-9-18-14/h1-7,9,20H,8,10H2,(H,18,22)(H,19,23)
InChIKeyMGYTXFGAXIKJRJ-UHFFFAOYSA-N
XLogP2.51
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
CID 136653094
(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide
CID 135873830
[(1-oxo-2,3,4,10-tetrahydroazepino[3,4-b]indol-5-ylidene)amino]urea
CID 136501195
5-[(5-chloro-2-pyridinyl)hydrazinylidene]-7-fluoro-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
CID 136644792
7-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
CID 136607368
3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione
CID 170859462
N-(cyclobutylideneamino)pyridin-2-amine
CID 130692058
1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine
CID 159389333
(2E)-N-(4-aminocyclohexyl)-2-(1-oxo-2,3,4,10-tetrahydroazepino[3,4-b]indol-5-ylidene)acetamide
CID 11210348
2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one
CID 99977936
2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride
CID 102567101
(2Z)-2-(1-oxo-2,3,4,10-tetrahydroazepino[3,4-b]indol-5-ylidene)-N-(2-sulfamoylphenyl)acetamide
CID 68638586

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one?
The IUPAC name of 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one (CID 136657234) is 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one.
What is the SMILES notation for 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one?
The canonical SMILES for 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one is O=C1NCCC(=NNc2ccccn2)c2c1[nH]c1ccccc21.
What is the InChIKey of 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one?
The InChIKey is MGYTXFGAXIKJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17-16-15(11-5-1-2-6-12(11)20-16)13(8-10-19-17)21-22-14-7-3-4-9-18-14/h1-7,9,20H,8,10H2,(H,18,22)(H,19,23).
What are the key properties of 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one?
5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one has a molecular weight of 305.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one is sourced from PubChem (CID 136657234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).