N'-pyridin-3-yladamantane-1-carbohydrazide

C16H21N3O — CID 24865008

IUPACN'-pyridin-3-yladamantane-1-carbohydrazide
SMILESO=C(NNc1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21N3O/c20-15(19-18-14-2-1-3-17-10-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13,18H,4-9H2,(H,19,20)
InChIKeyVHWUIFXTNWIXCL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds3

About N'-pyridin-3-yladamantane-1-carbohydrazide

N'-pyridin-3-yladamantane-1-carbohydrazide (PubChem CID 24865008) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N'-pyridin-3-yladamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-pyridin-3-yladamantane-1-carbohydrazide
PubChem CID24865008
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN'-pyridin-3-yladamantane-1-carbohydrazide
SMILESO=C(NNc1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21N3O/c20-15(19-18-14-2-1-3-17-10-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13,18H,4-9H2,(H,19,20)
InChIKeyVHWUIFXTNWIXCL-UHFFFAOYSA-N
XLogP2.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
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 N'-pyridin-3-yladamantane-1-carbohydrazide?
The IUPAC name of N'-pyridin-3-yladamantane-1-carbohydrazide (CID 24865008) is N'-pyridin-3-yladamantane-1-carbohydrazide.
What is the SMILES notation for N'-pyridin-3-yladamantane-1-carbohydrazide?
The canonical SMILES for N'-pyridin-3-yladamantane-1-carbohydrazide is O=C(NNc1cccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-pyridin-3-yladamantane-1-carbohydrazide?
The InChIKey is VHWUIFXTNWIXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-15(19-18-14-2-1-3-17-10-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13,18H,4-9H2,(H,19,20).
What are the key properties of N'-pyridin-3-yladamantane-1-carbohydrazide?
N'-pyridin-3-yladamantane-1-carbohydrazide has a molecular weight of 271.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyridin-3-yladamantane-1-carbohydrazide is sourced from PubChem (CID 24865008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).