(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

C16H15FN2O — CID 63980528

IUPAC(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCCc2ccccc2C1
InChIInChI=1S/C16H15FN2O/c17-15-8-7-13(10-18-15)16(20)19-9-3-6-12-4-1-2-5-14(12)11-19/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyPTWWHUVGJJDKCE-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.81
Rot. Bonds1

About (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (PubChem CID 63980528) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
PubChem CID63980528
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCCc2ccccc2C1
InChIInChI=1S/C16H15FN2O/c17-15-8-7-13(10-18-15)16(20)19-9-3-6-12-4-1-2-5-14(12)11-19/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyPTWWHUVGJJDKCE-UHFFFAOYSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone 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

N,N-Diethylnicotinamide
CID 5497
Phenyl-3-pyridinylmethanone
CID 21540
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
Nicotinanilide
CID 74463
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
CID 78774
Phenatine
CID 120640
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-3-yl)methanone
CID 3078467
N,N-Dimethylnicotinamide
CID 81444
Nicotinic acid benzylamide
CID 98499
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The IUPAC name of (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (CID 63980528) is (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.
What is the SMILES notation for (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The canonical SMILES for (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is O=C(c1ccc(F)nc1)N1CCCc2ccccc2C1.
What is the InChIKey of (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The InChIKey is PTWWHUVGJJDKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-8-7-13(10-18-15)16(20)19-9-3-6-12-4-1-2-5-14(12)11-19/h1-2,4-5,7-8,10H,3,6,9,11H2.
What are the key properties of (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone has a molecular weight of 270.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is sourced from PubChem (CID 63980528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).