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

C19H25N3O3 — CID 46548907

IUPACN'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide
SMILESCOc1ncccc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O3/c1-25-18-15(3-2-4-20-18)17(24)22-21-16(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyVDDTXKCKQIBEME-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.46
Rot. Bonds4

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

N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide (PubChem CID 46548907) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide
PubChem CID46548907
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide
SMILESCOc1ncccc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O3/c1-25-18-15(3-2-4-20-18)17(24)22-21-16(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyVDDTXKCKQIBEME-UHFFFAOYSA-N
XLogP2.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.46
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 N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide (CID 46548907) is N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide is COc1ncccc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide?
The InChIKey is VDDTXKCKQIBEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-25-18-15(3-2-4-20-18)17(24)22-21-16(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide?
N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide has a molecular weight of 343.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide is sourced from PubChem (CID 46548907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).