N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride

C19H26ClN3O2 — CID 2836068

IUPACN'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride
SMILESCC12CC3CC(C)(C1)CC(C(=O)NNC(=O)c1ccncc1)(C3)C2.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(24)22-21-15(23)14-3-5-20-6-4-14;/h3-6,13H,7-12H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyGIVMKGHMIRKFII-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.26
Rot. Bonds2

About N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride

N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride (PubChem CID 2836068) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride
PubChem CID2836068
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride
SMILESCC12CC3CC(C)(C1)CC(C(=O)NNC(=O)c1ccncc1)(C3)C2.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(24)22-21-15(23)14-3-5-20-6-4-14;/h3-6,13H,7-12H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyGIVMKGHMIRKFII-UHFFFAOYSA-N
XLogP3.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.26
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-3-carbohydrazide
CID 3315534
N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride
CID 21235376
3,5-dimethyl-N-(1,2-oxazol-3-yl)adamantane-1-carboxamide
CID 6469518
N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 46982222
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 17168267
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 6468967
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide
CID 112846085
2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 4731557
(3,5-dimethyl-1-adamantyl)-(4-methylphenyl)methanone
CID 79998419
N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 171134360

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride?
The IUPAC name of N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride (CID 2836068) is N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride.
What is the SMILES notation for N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride?
The canonical SMILES for N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride is CC12CC3CC(C)(C1)CC(C(=O)NNC(=O)c1ccncc1)(C3)C2.Cl.
What is the InChIKey of N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride?
The InChIKey is GIVMKGHMIRKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16(24)22-21-15(23)14-3-5-20-6-4-14;/h3-6,13H,7-12H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride?
N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 2836068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).