[4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone

C27H34N6O2 — CID 129058658

IUPAC[4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone
SMILESNN=NC1CC(C(=O)N2CCCCC2)=Cc2ccc(C3=CC=C(C(=O)N4CCCC4)CC3)cc2N1
InChIInChI=1S/C27H34N6O2/c28-31-30-25-18-23(27(35)33-12-2-1-3-13-33)16-22-11-10-21(17-24(22)29-25)19-6-8-20(9-7-19)26(34)32-14-4-5-15-32/h6,8,10-11,16-17,25,29H,1-5,7,9,12-15,18H2,(H2,28,30)
InChIKeyQJNPLQAPBLSSHR-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.28
Rot. Bonds4

About [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone

[4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 129058658) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID129058658
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name[4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone
SMILESNN=NC1CC(C(=O)N2CCCCC2)=Cc2ccc(C3=CC=C(C(=O)N4CCCC4)CC3)cc2N1
InChIInChI=1S/C27H34N6O2/c28-31-30-25-18-23(27(35)33-12-2-1-3-13-33)16-22-11-10-21(17-24(22)29-25)19-6-8-20(9-7-19)26(34)32-14-4-5-15-32/h6,8,10-11,16-17,25,29H,1-5,7,9,12-15,18H2,(H2,28,30)
InChIKeyQJNPLQAPBLSSHR-UHFFFAOYSA-N
XLogP4.28
TPSA103.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone 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

[2-(aminodiazenyl)-8-[4-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1H-1-benzazepin-4-yl]-pyrrolidin-1-ylmethanone
CID 129058392
2-(aminodiazenyl)-N-butan-2-yl-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide
CID 129058408
2-amino-N-oxo-7-[4-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide
CID 130350216
3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 102580684
2-methylpropyl 2-[4-[2-(aminodiazenyl)-4-[3-nitrosopropyl(propyl)carbamoyl]-2,3-dihydro-1H-1-benzazepin-8-yl]phenyl]acetate
CID 131969060
azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone
CID 117125964
(4-tert-butylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone
CID 167073113
1H-inden-2-yl(pyrrolidin-1-yl)methanone
CID 166438542
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone (CID 129058658) is [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone is NN=NC1CC(C(=O)N2CCCCC2)=Cc2ccc(C3=CC=C(C(=O)N4CCCC4)CC3)cc2N1.
What is the InChIKey of [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QJNPLQAPBLSSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c28-31-30-25-18-23(27(35)33-12-2-1-3-13-33)16-22-11-10-21(17-24(22)29-25)19-6-8-20(9-7-19)26(34)32-14-4-5-15-32/h6,8,10-11,16-17,25,29H,1-5,7,9,12-15,18H2,(H2,28,30).
What are the key properties of [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone?
[4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 474.61 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminodiazenyl)-4-(piperidine-1-carbonyl)-2,3-dihydro-1H-1-benzazepin-8-yl]cyclohexa-1,3-dien-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 129058658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).