N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide

C15H15N3O2S — CID 9331191

IUPACN'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
SMILESCSCc1ccc(C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O2S/c1-21-10-11-5-7-12(8-6-11)14(19)17-18-15(20)13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyZHFBUNFNOWVAFE-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.02
Rot. Bonds4

About N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide

N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide (PubChem CID 9331191) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
PubChem CID9331191
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
SMILESCSCc1ccc(C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H15N3O2S/c1-21-10-11-5-7-12(8-6-11)14(19)17-18-15(20)13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyZHFBUNFNOWVAFE-UHFFFAOYSA-N
XLogP2.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide
CID 24537705
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
CID 24536163
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
CID 24537801
pyridin-2-ylmethyl 4-(methylsulfanylmethyl)benzoate
CID 86977046
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4790073
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide
CID 7479678
N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-4-(methylsulfanylmethyl)benzohydrazide
CID 24535754

Frequently Asked Questions

What is the IUPAC name of N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide (CID 9331191) is N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide is CSCc1ccc(C(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide?
The InChIKey is ZHFBUNFNOWVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-21-10-11-5-7-12(8-6-11)14(19)17-18-15(20)13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide?
N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide has a molecular weight of 301.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9331191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).