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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Related Compounds

N'-(2-chlorophenyl)adamantane-1-carbohydrazide
CID 24864649
(pyridin-3-ylamino)thiourea
CID 3571447
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
1-(1-adamantyl)-3-pyridin-3-ylprop-2-en-1-one
CID 3107899
1-(1-adamantyl)-3-pyridin-3-ylpropan-1-one
CID 23355088
N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride
CID 21235376
N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]adamantane-1-carboxamide
CID 18168798
1-adamantyl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347614
N-(3-nitro-5-pyridin-3-yloxyphenyl)adamantane-1-carboxamide
CID 4684686
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110395267
methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
CID 155558946
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288

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).