N-phenyl-3-sulfanylpyridine-2-carboxamide

C12H10N2OS — CID 5274894

IUPACN-phenyl-3-sulfanylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ncccc1S
InChIInChI=1S/C12H10N2OS/c15-12(11-10(16)7-4-8-13-11)14-9-5-2-1-3-6-9/h1-8,16H,(H,14,15)
InChIKeyJJIJNWILPUXGSY-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.62
Rot. Bonds2

About N-phenyl-3-sulfanylpyridine-2-carboxamide

N-phenyl-3-sulfanylpyridine-2-carboxamide (PubChem CID 5274894) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is N-phenyl-3-sulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-sulfanylpyridine-2-carboxamide
PubChem CID5274894
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC NameN-phenyl-3-sulfanylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ncccc1S
InChIInChI=1S/C12H10N2OS/c15-12(11-10(16)7-4-8-13-11)14-9-5-2-1-3-6-9/h1-8,16H,(H,14,15)
InChIKeyJJIJNWILPUXGSY-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-sulfanylpyridine-2-carboxamide?
The IUPAC name of N-phenyl-3-sulfanylpyridine-2-carboxamide (CID 5274894) is N-phenyl-3-sulfanylpyridine-2-carboxamide.
What is the SMILES notation for N-phenyl-3-sulfanylpyridine-2-carboxamide?
The canonical SMILES for N-phenyl-3-sulfanylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1ncccc1S.
What is the InChIKey of N-phenyl-3-sulfanylpyridine-2-carboxamide?
The InChIKey is JJIJNWILPUXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-12(11-10(16)7-4-8-13-11)14-9-5-2-1-3-6-9/h1-8,16H,(H,14,15).
What are the key properties of N-phenyl-3-sulfanylpyridine-2-carboxamide?
N-phenyl-3-sulfanylpyridine-2-carboxamide has a molecular weight of 230.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-sulfanylpyridine-2-carboxamide is sourced from PubChem (CID 5274894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).