3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H19N3O — CID 103313284

IUPAC3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1cccc(CNC2CCc3ccccc3NC2=O)n1
InChIInChI=1S/C17H19N3O/c1-12-5-4-7-14(19-12)11-18-16-10-9-13-6-2-3-8-15(13)20-17(16)21/h2-8,16,18H,9-11H2,1H3,(H,20,21)
InChIKeyJCLITVZGNALPTB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.43
Rot. Bonds3

About 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313284) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313284
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1cccc(CNC2CCc3ccccc3NC2=O)n1
InChIInChI=1S/C17H19N3O/c1-12-5-4-7-14(19-12)11-18-16-10-9-13-6-2-3-8-15(13)20-17(16)21/h2-8,16,18H,9-11H2,1H3,(H,20,21)
InChIKeyJCLITVZGNALPTB-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106372206
3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62323725
3-(pyridin-4-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313133
3-[(4-fluorophenyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313096
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313077
3-(2-methylprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313566
3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313550
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313451
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313304
3-(2-chloroprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313500
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313171
3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313115

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313284) is 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is Cc1cccc(CNC2CCc3ccccc3NC2=O)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is JCLITVZGNALPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-4-7-14(19-12)11-18-16-10-9-13-6-2-3-8-15(13)20-17(16)21/h2-8,16,18H,9-11H2,1H3,(H,20,21).
What are the key properties of 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).