(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone

C16H17N3O — CID 114335653

IUPAC(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone
SMILESNC1CCCN(C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C16H17N3O/c17-14-5-3-11-19(15-6-2-1-4-13(14)15)16(20)12-7-9-18-10-8-12/h1-2,4,6-10,14H,3,5,11,17H2
InChIKeySWJOKQZPGSMAFA-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.52
Rot. Bonds1

About (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone

(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone (PubChem CID 114335653) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone
PubChem CID114335653
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone
SMILESNC1CCCN(C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C16H17N3O/c17-14-5-3-11-19(15-6-2-1-4-13(14)15)16(20)12-7-9-18-10-8-12/h1-2,4,6-10,14H,3,5,11,17H2
InChIKeySWJOKQZPGSMAFA-UHFFFAOYSA-N
XLogP2.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
CID 114335609
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2,3-dimethylbutan-1-one
CID 114335617
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-cyclopentylpropan-1-one
CID 114335687
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(oxolan-2-yl)ethanone
CID 114335682
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-ethoxyethanone
CID 114335676
(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114343065
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19607756
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
N-[4-[5-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 19607940
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114337443

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone (CID 114335653) is (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone is NC1CCCN(C(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is SWJOKQZPGSMAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-14-5-3-11-19(15-6-2-1-4-13(14)15)16(20)12-7-9-18-10-8-12/h1-2,4,6-10,14H,3,5,11,17H2.
What are the key properties of (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone?
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 267.33 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 114335653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).