1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one

C17H21N3O — CID 114336159

IUPAC1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
SMILESNC1CCCN(CCn2ccccc2=O)c2ccccc21
InChIInChI=1S/C17H21N3O/c18-15-7-5-11-19(16-8-2-1-6-14(15)16)12-13-20-10-4-3-9-17(20)21/h1-4,6,8-10,15H,5,7,11-13,18H2
InChIKeyLUCIFPZWEWICLK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.15
Rot. Bonds3

About 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one

1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one (PubChem CID 114336159) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
PubChem CID114336159
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
SMILESNC1CCCN(CCn2ccccc2=O)c2ccccc21
InChIInChI=1S/C17H21N3O/c18-15-7-5-11-19(16-8-2-1-6-14(15)16)12-13-20-10-4-3-9-17(20)21/h1-4,6,8-10,15H,5,7,11-13,18H2
InChIKeyLUCIFPZWEWICLK-UHFFFAOYSA-N
XLogP2.15
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one
CID 154758188
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-4-amine
CID 83153620
1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboximidamide
CID 82897699
3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75521538
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one (CID 114336159) is 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one is NC1CCCN(CCn2ccccc2=O)c2ccccc21.
What is the InChIKey of 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one?
The InChIKey is LUCIFPZWEWICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-15-7-5-11-19(16-8-2-1-6-14(15)16)12-13-20-10-4-3-9-17(20)21/h1-4,6,8-10,15H,5,7,11-13,18H2.
What are the key properties of 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one?
1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 114336159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).