2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide

C17H21Cl2N3O — CID 57412750

IUPAC2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide
SMILESO=C(CC1C2CC3CC(C2)CC1C3)NNc1c(Cl)cncc1Cl
InChIInChI=1S/C17H21Cl2N3O/c18-14-7-20-8-15(19)17(14)22-21-16(23)6-13-11-2-9-1-10(4-11)5-12(13)3-9/h7-13H,1-6H2,(H,20,22)(H,21,23)
InChIKeyIYBOUGACQPOKJH-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.29
Rot. Bonds4

About 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide

2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide (PubChem CID 57412750) has the molecular formula C17H21Cl2N3O and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide.

Molecular Properties

Compound Name2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide
PubChem CID57412750
Molecular FormulaC17H21Cl2N3O
Molecular Weight354.28 g/mol
Exact Mass353.11
IUPAC Name2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide
SMILESO=C(CC1C2CC3CC(C2)CC1C3)NNc1c(Cl)cncc1Cl
InChIInChI=1S/C17H21Cl2N3O/c18-14-7-20-8-15(19)17(14)22-21-16(23)6-13-11-2-9-1-10(4-11)5-12(13)3-9/h7-13H,1-6H2,(H,20,22)(H,21,23)
InChIKeyIYBOUGACQPOKJH-UHFFFAOYSA-N
XLogP4.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.29
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide?
The IUPAC name of 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide (CID 57412750) is 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide.
What is the SMILES notation for 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide?
The canonical SMILES for 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide is O=C(CC1C2CC3CC(C2)CC1C3)NNc1c(Cl)cncc1Cl.
What is the InChIKey of 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide?
The InChIKey is IYBOUGACQPOKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O/c18-14-7-20-8-15(19)17(14)22-21-16(23)6-13-11-2-9-1-10(4-11)5-12(13)3-9/h7-13H,1-6H2,(H,20,22)(H,21,23).
What are the key properties of 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide?
2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide has a molecular weight of 354.28 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide is sourced from PubChem (CID 57412750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).