N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide

C11H15N3O2S — CID 18167828

IUPACN'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C11H15N3O2S/c1-7(2)6-9(15)13-14-10(16)8-4-3-5-12-11(8)17/h3-5,7H,6H2,1-2H3,(H,12,17)(H,13,15)(H,14,16)
InChIKeyKGMAKUUGWTYGMG-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.55
Rot. Bonds3

About N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide

N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide (PubChem CID 18167828) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
PubChem CID18167828
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C11H15N3O2S/c1-7(2)6-9(15)13-14-10(16)8-4-3-5-12-11(8)17/h3-5,7H,6H2,1-2H3,(H,12,17)(H,13,15)(H,14,16)
InChIKeyKGMAKUUGWTYGMG-UHFFFAOYSA-N
XLogP1.55
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-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

2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 139492782
N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 36706427
N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 122236766
2-sulfanylidene-1H-pyridine-3-carbohydrazide;hydrochloride
CID 131110619

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide (CID 18167828) is N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide is CC(C)CC(=O)NNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The InChIKey is KGMAKUUGWTYGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(2)6-9(15)13-14-10(16)8-4-3-5-12-11(8)17/h3-5,7H,6H2,1-2H3,(H,12,17)(H,13,15)(H,14,16).
What are the key properties of N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide has a molecular weight of 253.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 18167828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).