N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide

C15H15N3O2S — CID 7678001

IUPACN'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
SMILESC[C@H](Sc1ccccc1)C(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C15H15N3O2S/c1-11(21-13-5-3-2-4-6-13)14(19)17-18-15(20)12-7-9-16-10-8-12/h2-11H,1H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyVLPCFGSQVURDML-NSHDSACASA-N
MW301.37 g/mol
LogP2.02
Rot. Bonds4

About N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide

N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide (PubChem CID 7678001) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
PubChem CID7678001
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
SMILESC[C@H](Sc1ccccc1)C(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C15H15N3O2S/c1-11(21-13-5-3-2-4-6-13)14(19)17-18-15(20)12-7-9-16-10-8-12/h2-11H,1H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyVLPCFGSQVURDML-NSHDSACASA-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'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9496112
N'-[(2R)-2-aminopropanoyl]pyridine-4-carbohydrazide
CID 24838770
3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9333588
N'-[(2S)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzohydrazide
CID 8952763
N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8957069
N'-[(2R)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzohydrazide
CID 8956180
N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9059598
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]acetamide
CID 24838768
2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide
CID 71912580
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153
N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
CID 40520069

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide (CID 7678001) is N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide is C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide?
The InChIKey is VLPCFGSQVURDML-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11(21-13-5-3-2-4-6-13)14(19)17-18-15(20)12-7-9-16-10-8-12/h2-11H,1H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide?
N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-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'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 7678001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).