5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide

C29H33ClN6O2 — CID 10196305

About 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide

5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide (PubChem CID 10196305) has the molecular formula C29H33ClN6O2 and a molecular weight of 533.08 g/mol. Its IUPAC name is 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide
• PubChem CID: 10196305
• Molecular Formula: C29H33ClN6O2
• Molecular Weight: 533.08 g/mol
• Exact Mass: 532.24
• IUPAC Name: 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide
• SMILES: O=C(NNc1ncc(C(=O)NCCN2CCCCC2)cc1Cl)NC1c2ccccc2CCc2ccccc21
• InChI: InChI=1S/C29H33ClN6O2/c30-25-18-22(28(37)31-14-17-36-15-6-1-7-16-36)19-32-27(25)34-35-29(38)33-26-23-10-4-2-8-20(23)12-13-21-9-3-5-11-24(21)26/h2-5,8-11,18-19,26H,1,6-7,12-17H2,(H,31,37)(H,32,34)(H2,33,35,38)
• InChIKey: PCFDYAFICCOBQP-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 98.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.08
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide (CID 10196305) is 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide is O=C(NNc1ncc(C(=O)NCCN2CCCCC2)cc1Cl)NC1c2ccccc2CCc2ccccc21.

What is the InChIKey of 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide?

The InChIKey is PCFDYAFICCOBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN6O2/c30-25-18-22(28(37)31-14-17-36-15-6-1-7-16-36)19-32-27(25)34-35-29(38)33-26-23-10-4-2-8-20(23)12-13-21-9-3-5-11-24(21)26/h2-5,8-11,18-19,26H,1,6-7,12-17H2,(H,31,37)(H,32,34)(H2,33,35,38).

What are the key properties of 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide?

5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide has a molecular weight of 533.08 g/mol, XLogP of 4.47, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(2-piperidin-1-ylethyl)-6-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]pyridine-3-carboxamide is sourced from PubChem (CID 10196305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).