1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone

C17H18N2O — CID 83120051

IUPAC1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCCCc3ccccc32)cn1
InChIInChI=1S/C17H18N2O/c1-13(20)16-10-9-15(12-18-16)19-11-5-4-7-14-6-2-3-8-17(14)19/h2-3,6,8-10,12H,4-5,7,11H2,1H3
InChIKeyMMJORDYRAVNUJU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.76
Rot. Bonds2

About 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone

1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone (PubChem CID 83120051) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone
PubChem CID83120051
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCCCc3ccccc32)cn1
InChIInChI=1S/C17H18N2O/c1-13(20)16-10-9-15(12-18-16)19-11-5-4-7-14-6-2-3-8-17(14)19/h2-3,6,8-10,12H,4-5,7,11H2,1H3
InChIKeyMMJORDYRAVNUJU-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone 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

[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186328
N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide
CID 136990684
1-[5-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyridinyl]ethanone
CID 83119857
1-[5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]ethanone
CID 83118609
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109197953
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197843
N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197949
N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197942
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109197827
N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109189865

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone (CID 83120051) is 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone is CC(=O)c1ccc(N2CCCCc3ccccc32)cn1.
What is the InChIKey of 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone?
The InChIKey is MMJORDYRAVNUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(20)16-10-9-15(12-18-16)19-11-5-4-7-14-6-2-3-8-17(14)19/h2-3,6,8-10,12H,4-5,7,11H2,1H3.
What are the key properties of 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone?
1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83120051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).