2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide

C18H16N4O2S — CID 7996121

IUPAC2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide
SMILESCSc1ncccc1C(=O)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C18H16N4O2S/c1-25-18-14(8-6-10-19-18)17(24)21-20-16(23)13-7-2-3-9-15(13)22-11-4-5-12-22/h2-12H,1H3,(H,20,23)(H,21,24)
InChIKeyZTHOGHNGSKBXLX-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.67
Rot. Bonds4

About 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide

2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide (PubChem CID 7996121) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide
PubChem CID7996121
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide
SMILESCSc1ncccc1C(=O)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C18H16N4O2S/c1-25-18-14(8-6-10-19-18)17(24)21-20-16(23)13-7-2-3-9-15(13)22-11-4-5-12-22/h2-12H,1H3,(H,20,23)(H,21,24)
InChIKeyZTHOGHNGSKBXLX-UHFFFAOYSA-N
XLogP2.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 4807845
N'-(1,3-diphenylpyrazole-4-carbonyl)-2-methylsulfanylpyridine-3-carbohydrazide
CID 24512663
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
CID 4807808
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727
N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 1481245
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide (CID 7996121) is 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide is CSc1ncccc1C(=O)NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide?
The InChIKey is ZTHOGHNGSKBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-25-18-14(8-6-10-19-18)17(24)21-20-16(23)13-7-2-3-9-15(13)22-11-4-5-12-22/h2-12H,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide?
2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide has a molecular weight of 352.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 7996121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).