4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide

C21H25ClN8O — CID 144553308

About 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide (PubChem CID 144553308) has the molecular formula C21H25ClN8O and a molecular weight of 440.94 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide
• PubChem CID: 144553308
• Molecular Formula: C21H25ClN8O
• Molecular Weight: 440.94 g/mol
• Exact Mass: 440.18
• IUPAC Name: 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide
• SMILES: N/N=C(/CNC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1)NN
• InChI: InChI=1S/C21H25ClN8O/c22-15-1-3-16(4-2-15)30-13-18(17-5-8-25-11-19(17)30)14-6-9-29(10-7-14)21(31)26-12-20(27-23)28-24/h1-5,8,11,13-14H,6-7,9-10,12,23-24H2,(H,26,31)(H,27,28)
• InChIKey: FEXASQVTTJXIRX-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 126.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.94
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide?

The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide (CID 144553308) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide?

The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide is N/N=C(/CNC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1)NN.

What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide?

The InChIKey is FEXASQVTTJXIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN8O/c22-15-1-3-16(4-2-15)30-13-18(17-5-8-25-11-19(17)30)14-6-9-29(10-7-14)21(31)26-12-20(27-23)28-24/h1-5,8,11,13-14H,6-7,9-10,12,23-24H2,(H,26,31)(H,27,28).

What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide?

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide is sourced from PubChem (CID 144553308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).