About N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide
N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide (PubChem CID 127025469) has the molecular formula C15H14N4O
and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide.
Molecular Properties
| Compound Name | N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide |
| PubChem CID | 127025469 |
| Molecular Formula | C15H14N4O |
| Molecular Weight | 266.30 g/mol |
| Exact Mass | 266.12 |
| IUPAC Name | N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide |
| SMILES | O=C(NNCc1c[nH]c2ccccc12)c1ccncc1 |
| InChI | InChI=1S/C15H14N4O/c20-15(11-5-7-16-8-6-11)19-18-10-12-9-17-14-4-2-1-3-13(12)14/h1-9,17-18H,10H2,(H,19,20) |
| InChIKey | AFHWKTUJMRPKGG-UHFFFAOYSA-N |
| XLogP | 2.00 |
| TPSA | 69.81 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 266.30 |
| LogP ≤ 5 | 2.00 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide (CID 127025469) is N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide is O=C(NNCc1c[nH]c2ccccc12)c1ccncc1.
What is the InChIKey of N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide?
The InChIKey is AFHWKTUJMRPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(11-5-7-16-8-6-11)19-18-10-12-9-17-14-4-2-1-3-13(12)14/h1-9,17-18H,10H2,(H,19,20).
What are the key properties of N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide?
N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide has a molecular weight of 266.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 127025469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).