2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide

C20H18N4O2S — CID 32615130

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
SMILESCc1ccc(Sc2ncccc2C(=O)NNC(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C20H18N4O2S/c1-13-8-9-17(14(2)12-13)27-20-15(6-5-11-22-20)18(25)23-24-19(26)16-7-3-4-10-21-16/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyYTOMVOYTLWYMBV-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.32
Rot. Bonds4

About 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide

2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide (PubChem CID 32615130) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
PubChem CID32615130
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
SMILESCc1ccc(Sc2ncccc2C(=O)NNC(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C20H18N4O2S/c1-13-8-9-17(14(2)12-13)27-20-15(6-5-11-22-20)18(25)23-24-19(26)16-7-3-4-10-21-16/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyYTOMVOYTLWYMBV-UHFFFAOYSA-N
XLogP3.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.32
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-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 55870004
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
N'-(2-hydroxy-4-methylbenzoyl)pyridine-2-carbohydrazide
CID 35815605
2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide
CID 52895221
N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 26727774
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 55609530
N'-[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide
CID 9331236
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55848235
2-(2,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 60615984

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide (CID 32615130) is 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide is Cc1ccc(Sc2ncccc2C(=O)NNC(=O)c2ccccn2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide?
The InChIKey is YTOMVOYTLWYMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13-8-9-17(14(2)12-13)27-20-15(6-5-11-22-20)18(25)23-24-19(26)16-7-3-4-10-21-16/h3-12H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide?
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide has a molecular weight of 378.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 32615130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).