6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide

C25H23ClN6O3S — CID 10196198

IUPAC6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NNc1ncc(C(=O)NC2CCSC2=O)cc1Cl)NC1c2ccccc2CCc2cnccc21
InChIInChI=1S/C25H23ClN6O3S/c26-19-11-16(23(33)29-20-8-10-36-24(20)34)13-28-22(19)31-32-25(35)30-21-17-4-2-1-3-14(17)5-6-15-12-27-9-7-18(15)21/h1-4,7,9,11-13,20-21H,5-6,8,10H2,(H,28,31)(H,29,33)(H2,30,32,35)
InChIKeyLLJBRORJGVAETQ-UHFFFAOYSA-N
MW523.02 g/mol
LogP3.41
Rot. Bonds5

About 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide

6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 10196198) has the molecular formula C25H23ClN6O3S and a molecular weight of 523.02 g/mol. Its IUPAC name is 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID10196198
Molecular FormulaC25H23ClN6O3S
Molecular Weight523.02 g/mol
Exact Mass522.12
IUPAC Name6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NNc1ncc(C(=O)NC2CCSC2=O)cc1Cl)NC1c2ccccc2CCc2cnccc21
InChIInChI=1S/C25H23ClN6O3S/c26-19-11-16(23(33)29-20-8-10-36-24(20)34)13-28-22(19)31-32-25(35)30-21-17-4-2-1-3-14(17)5-6-15-12-27-9-7-18(15)21/h1-4,7,9,11-13,20-21H,5-6,8,10H2,(H,28,31)(H,29,33)(H2,30,32,35)
InChIKeyLLJBRORJGVAETQ-UHFFFAOYSA-N
XLogP3.41
TPSA125.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.02
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide 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 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide (CID 10196198) is 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide is O=C(NNc1ncc(C(=O)NC2CCSC2=O)cc1Cl)NC1c2ccccc2CCc2cnccc21.
What is the InChIKey of 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is LLJBRORJGVAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O3S/c26-19-11-16(23(33)29-20-8-10-36-24(20)34)13-28-22(19)31-32-25(35)30-21-17-4-2-1-3-14(17)5-6-15-12-27-9-7-18(15)21/h1-4,7,9,11-13,20-21H,5-6,8,10H2,(H,28,31)(H,29,33)(H2,30,32,35).
What are the key properties of 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide?
6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 523.02 g/mol, XLogP of 3.41, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylcarbamoyl)hydrazinyl]-5-chloro-N-(2-oxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 10196198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).