(NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine

C17H19N3O — CID 114337181

IUPAC(NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
SMILESCc1cccc(CN2CCC/C(=N/O)c3ccccc32)n1
InChIInChI=1S/C17H19N3O/c1-13-6-4-7-14(18-13)12-20-11-5-9-16(19-21)15-8-2-3-10-17(15)20/h2-4,6-8,10,21H,5,9,11-12H2,1H3/b19-16-
InChIKeyLJHRYHZTUCTJKN-MNDPQUGUSA-N
MW281.36 g/mol
LogP3.37
Rot. Bonds2

About (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine

(NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine (PubChem CID 114337181) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
PubChem CID114337181
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
SMILESCc1cccc(CN2CCC/C(=N/O)c3ccccc32)n1
InChIInChI=1S/C17H19N3O/c1-13-6-4-7-14(18-13)12-20-11-5-9-16(19-21)15-8-2-3-10-17(15)20/h2-4,6-8,10,21H,5,9,11-12H2,1H3/b19-16-
InChIKeyLJHRYHZTUCTJKN-MNDPQUGUSA-N
XLogP3.37
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine 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

(NZ)-N-[1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337229
(NZ)-N-[1-[(3-bromophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337290
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
N-tert-butyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337164
(NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 103134740
N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337162
1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-imine
CID 62307701
5-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]pentanenitrile
CID 114337332
N-ethyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-methylacetamide
CID 114337176
N-(cyanomethyl)-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337260
(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337326
3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114337171

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine (CID 114337181) is (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine is Cc1cccc(CN2CCC/C(=N/O)c3ccccc32)n1.
What is the InChIKey of (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The InChIKey is LJHRYHZTUCTJKN-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-6-4-7-14(18-13)12-20-11-5-9-16(19-21)15-8-2-3-10-17(15)20/h2-4,6-8,10,21H,5,9,11-12H2,1H3/b19-16-.
What are the key properties of (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
(NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine has a molecular weight of 281.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine is sourced from PubChem (CID 114337181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).