2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide

C22H24N4O2 — CID 4731557

IUPAC2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1)c1ccncc1
InChIInChI=1S/C22H24N4O2/c27-20(17-1-4-23-5-2-17)25-26-21(28)18-3-6-24-19(10-18)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,25,27)(H,26,28)
InChIKeyODTBNZZQWJRLQW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.02
Rot. Bonds3

About 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide

2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide (PubChem CID 4731557) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
PubChem CID4731557
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1)c1ccncc1
InChIInChI=1S/C22H24N4O2/c27-20(17-1-4-23-5-2-17)25-26-21(28)18-3-6-24-19(10-18)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,25,27)(H,26,28)
InChIKeyODTBNZZQWJRLQW-UHFFFAOYSA-N
XLogP3.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide (CID 4731557) is 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide is O=C(NNC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1)c1ccncc1.
What is the InChIKey of 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is ODTBNZZQWJRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-20(17-1-4-23-5-2-17)25-26-21(28)18-3-6-24-19(10-18)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,25,27)(H,26,28).
What are the key properties of 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide?
2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 376.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 4731557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).