2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide

C17H16N4OS — CID 46548668

IUPAC2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H16N4OS/c1-13(23-15-6-3-2-4-7-15)17(22)20-14-8-9-16(18-12-14)21-11-5-10-19-21/h2-13H,1H3,(H,20,22)
InChIKeyVTPWAHQYDVXEDT-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.39
Rot. Bonds5

About 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide

2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide (PubChem CID 46548668) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
PubChem CID46548668
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H16N4OS/c1-13(23-15-6-3-2-4-7-15)17(22)20-14-8-9-16(18-12-14)21-11-5-10-19-21/h2-13H,1H3,(H,20,22)
InChIKeyVTPWAHQYDVXEDT-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide (CID 46548668) is 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The InChIKey is VTPWAHQYDVXEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-13(23-15-6-3-2-4-7-15)17(22)20-14-8-9-16(18-12-14)21-11-5-10-19-21/h2-13H,1H3,(H,20,22).
What are the key properties of 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide has a molecular weight of 324.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 46548668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).