N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide

C18H23N3O2 — CID 26641233

IUPACN'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccnc1
InChIInChI=1S/C18H23N3O2/c22-16(20-21-17(23)15-2-1-3-19-11-15)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,11-14H,4-10H2,(H,20,22)(H,21,23)
InChIKeyFWXVAVYXXCIVPG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.45
Rot. Bonds3

About N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide

N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide (PubChem CID 26641233) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
PubChem CID26641233
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccnc1
InChIInChI=1S/C18H23N3O2/c22-16(20-21-17(23)15-2-1-3-19-11-15)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,11-14H,4-10H2,(H,20,22)(H,21,23)
InChIKeyFWXVAVYXXCIVPG-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
CID 35151780
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55653506
4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24636731
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 18107728
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N-(1-adamantyl)-N-methylpyridine-3-carboxamide
CID 2971348
N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide
CID 26177274
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide
CID 7917872
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide (CID 26641233) is N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide is O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide?
The InChIKey is FWXVAVYXXCIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-16(20-21-17(23)15-2-1-3-19-11-15)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,11-14H,4-10H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide?
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide has a molecular weight of 313.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 26641233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).