7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one

C10H11N5O — CID 59773620

IUPAC7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
SMILESCN1C(=O)C(N=[N+]=[N-])CCc2ncccc21
InChIInChI=1S/C10H11N5O/c1-15-9-3-2-6-12-7(9)4-5-8(10(15)16)13-14-11/h2-3,6,8H,4-5H2,1H3
InChIKeySIQRMPWBVKBYPH-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.67
Rot. Bonds1

About 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one

7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one (PubChem CID 59773620) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one.

Molecular Properties

Compound Name7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
PubChem CID59773620
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
SMILESCN1C(=O)C(N=[N+]=[N-])CCc2ncccc21
InChIInChI=1S/C10H11N5O/c1-15-9-3-2-6-12-7(9)4-5-8(10(15)16)13-14-11/h2-3,6,8H,4-5H2,1H3
InChIKeySIQRMPWBVKBYPH-UHFFFAOYSA-N
XLogP1.67
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one?
The IUPAC name of 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one (CID 59773620) is 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one.
What is the SMILES notation for 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one?
The canonical SMILES for 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one is CN1C(=O)C(N=[N+]=[N-])CCc2ncccc21.
What is the InChIKey of 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one?
The InChIKey is SIQRMPWBVKBYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-9-3-2-6-12-7(9)4-5-8(10(15)16)13-14-11/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one?
7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one is sourced from PubChem (CID 59773620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).