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

C11H14N4O — CID 83023049

IUPAC5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
SMILESCN(C)NC(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C11H14N4O/c1-15(2)14-11(16)10-6-9(4-3-5-12)7-13-8-10/h6-8H,5,12H2,1-2H3,(H,14,16)
InChIKeyTZYNEXXMNFQFDB-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.40
Rot. Bonds2

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

5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide (PubChem CID 83023049) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
PubChem CID83023049
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
SMILESCN(C)NC(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C11H14N4O/c1-15(2)14-11(16)10-6-9(4-3-5-12)7-13-8-10/h6-8H,5,12H2,1-2H3,(H,14,16)
InChIKeyTZYNEXXMNFQFDB-UHFFFAOYSA-N
XLogP-0.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.40
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'}

Analyze 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023468
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
5-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)pyridine-3-carboxamide
CID 113485891
5-(3-aminoprop-1-ynyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54974505
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104764922
5-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 106422423
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551
5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
CID 62086672
5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 83035251
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide (CID 83023049) is 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide is CN(C)NC(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide?
The InChIKey is TZYNEXXMNFQFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(2)14-11(16)10-6-9(4-3-5-12)7-13-8-10/h6-8H,5,12H2,1-2H3,(H,14,16).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide?
5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide has a molecular weight of 218.26 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide is sourced from PubChem (CID 83023049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).