5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide

C12H15N3O2 — CID 83023468

IUPAC5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
SMILESCN(C)NC(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C12H15N3O2/c1-15(2)14-12(17)11-7-10(8-13-9-11)5-3-4-6-16/h7-9,16H,4,6H2,1-2H3,(H,14,17)
InChIKeyHXTVBUASJAEECE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.02
Rot. Bonds3

About 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide

5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide (PubChem CID 83023468) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
PubChem CID83023468
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
SMILESCN(C)NC(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C12H15N3O2/c1-15(2)14-12(17)11-7-10(8-13-9-11)5-3-4-6-16/h7-9,16H,4,6H2,1-2H3,(H,14,17)
InChIKeyHXTVBUASJAEECE-UHFFFAOYSA-N
XLogP0.02
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023049
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 63927155
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112663397
5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 106422355
5-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63283949
N-(2,2-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 79870832
5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)pyridine-3-carboxamide
CID 81177032
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
4-(5-but-1-ynyl-3-pyridinyl)but-3-yn-1-ol
CID 144746531
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide (CID 83023468) is 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide is CN(C)NC(=O)c1cncc(C#CCCO)c1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide?
The InChIKey is HXTVBUASJAEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(2)14-12(17)11-7-10(8-13-9-11)5-3-4-6-16/h7-9,16H,4,6H2,1-2H3,(H,14,17).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide?
5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide has a molecular weight of 233.27 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide is sourced from PubChem (CID 83023468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).