N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride

C18H23ClN3O2- — CID 21235376

IUPACN'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride
SMILESO=C(NNC(=O)C12CC3CCC(CC(C3)C1)C2)c1ccncc1.[Cl-]
InChIInChI=1S/C18H23N3O2.ClH/c22-16(15-3-5-19-6-4-15)20-21-17(23)18-9-12-1-2-13(10-18)8-14(7-12)11-18;/h3-6,12-14H,1-2,7-11H2,(H,20,22)(H,21,23);1H/p-1
InChIKeyQAMRIMRERMCADA-UHFFFAOYSA-M
MW348.85 g/mol
LogP-0.55
Rot. Bonds2

About N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride

N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride (PubChem CID 21235376) has the molecular formula C18H23ClN3O2- and a molecular weight of 348.85 g/mol. Its IUPAC name is N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride.

Molecular Properties

Compound NameN'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride
PubChem CID21235376
Molecular FormulaC18H23ClN3O2-
Molecular Weight348.85 g/mol
Exact Mass348.15
IUPAC NameN'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride
SMILESO=C(NNC(=O)C12CC3CCC(CC(C3)C1)C2)c1ccncc1.[Cl-]
InChIInChI=1S/C18H23N3O2.ClH/c22-16(15-3-5-19-6-4-15)20-21-17(23)18-9-12-1-2-13(10-18)8-14(7-12)11-18;/h3-6,12-14H,1-2,7-11H2,(H,20,22)(H,21,23);1H/p-1
InChIKeyQAMRIMRERMCADA-UHFFFAOYSA-M
XLogP-0.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 5-0.55
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'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride
CID 2836068
2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 4731557
N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide
CID 3146003
N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide
CID 4285087
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 3641175
N'-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]pyridine-4-carbohydrazide
CID 98605976
(5R,7R)-N'-benzoyl-3-chloroadamantane-1-carbohydrazide
CID 98390702
N'-pyridin-3-yladamantane-1-carbohydrazide
CID 24865008
N'-(cyclohexanecarbonyl)pyridine-4-carbohydrazide
CID 782647
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-[(2S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9206826

Frequently Asked Questions

What is the IUPAC name of N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride?
The IUPAC name of N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride (CID 21235376) is N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride.
What is the SMILES notation for N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride?
The canonical SMILES for N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride is O=C(NNC(=O)C12CC3CCC(CC(C3)C1)C2)c1ccncc1.[Cl-].
What is the InChIKey of N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride?
The InChIKey is QAMRIMRERMCADA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23N3O2.ClH/c22-16(15-3-5-19-6-4-15)20-21-17(23)18-9-12-1-2-13(10-18)8-14(7-12)11-18;/h3-6,12-14H,1-2,7-11H2,(H,20,22)(H,21,23);1H/p-1.
What are the key properties of N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride?
N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride has a molecular weight of 348.85 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride is sourced from PubChem (CID 21235376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).