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

C23H24N4O4 — CID 4731545

IUPAC2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccnc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H24N4O4/c28-21(25-26-22(29)18-3-1-2-4-19(18)27(30)31)17-5-6-24-20(10-17)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,25,28)(H,26,29)
InChIKeyHGGCDJOHEVLAIC-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.53
Rot. Bonds4

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

2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide (PubChem CID 4731545) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide
PubChem CID4731545
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccnc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H24N4O4/c28-21(25-26-22(29)18-3-1-2-4-19(18)27(30)31)17-5-6-24-20(10-17)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,25,28)(H,26,29)
InChIKeyHGGCDJOHEVLAIC-UHFFFAOYSA-N
XLogP3.53
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-iodobenzoyl)-2-nitrobenzohydrazide
CID 3544369
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
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N-(1-adamantylcarbamothioyl)-2-nitrobenzamide
CID 4635342
[(2-nitrobenzoyl)amino]urea
CID 61061190
2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide
CID 3098905
N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
CID 3127347
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
N'-[4-(2-methoxyethoxy)benzoyl]-2-nitrobenzohydrazide
CID 17353581

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide (CID 4731545) is 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccnc(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide?
The InChIKey is HGGCDJOHEVLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-21(25-26-22(29)18-3-1-2-4-19(18)27(30)31)17-5-6-24-20(10-17)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,25,28)(H,26,29).
What are the key properties of 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide?
2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide has a molecular weight of 420.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 4731545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).