2-oxo-1-propan-2-ylpyridine-4-carbohydrazide

C9H13N3O2 — CID 122507445

IUPAC2-oxo-1-propan-2-ylpyridine-4-carbohydrazide
SMILESCC(C)n1ccc(C(=O)NN)cc1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)12-4-3-7(5-8(12)13)9(14)11-10/h3-6H,10H2,1-2H3,(H,11,14)
InChIKeyAQTHAEQESPPLNN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.03
Rot. Bonds2

About 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide

2-oxo-1-propan-2-ylpyridine-4-carbohydrazide (PubChem CID 122507445) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-oxo-1-propan-2-ylpyridine-4-carbohydrazide
PubChem CID122507445
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-oxo-1-propan-2-ylpyridine-4-carbohydrazide
SMILESCC(C)n1ccc(C(=O)NN)cc1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)12-4-3-7(5-8(12)13)9(14)11-10/h3-6H,10H2,1-2H3,(H,11,14)
InChIKeyAQTHAEQESPPLNN-UHFFFAOYSA-N
XLogP0.03
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-1-propan-2-ylpyridine-4-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

N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide
CID 148899227
methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
CID 46868567
deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate
CID 161175975
N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide
CID 166305163
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
4-butan-2-ylbenzohydrazide
CID 83386529
3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide
CID 118443940
2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 117213756

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide?
The IUPAC name of 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide (CID 122507445) is 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide.
What is the SMILES notation for 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide?
The canonical SMILES for 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide is CC(C)n1ccc(C(=O)NN)cc1=O.
What is the InChIKey of 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide?
The InChIKey is AQTHAEQESPPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)12-4-3-7(5-8(12)13)9(14)11-10/h3-6H,10H2,1-2H3,(H,11,14).
What are the key properties of 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide?
2-oxo-1-propan-2-ylpyridine-4-carbohydrazide has a molecular weight of 195.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propan-2-ylpyridine-4-carbohydrazide is sourced from PubChem (CID 122507445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).