N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide

C13H11N3O2S — CID 786715

IUPACN-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1cccnc1
InChIInChI=1S/C13H11N3O2S/c17-11-6-2-1-5-10(11)15-13(19)16-12(18)9-4-3-7-14-8-9/h1-8,17H,(H2,15,16,18,19)
InChIKeyVSNOHPSYIOGHQU-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.91
Rot. Bonds2

About N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide

N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide (PubChem CID 786715) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide
PubChem CID786715
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1cccnc1
InChIInChI=1S/C13H11N3O2S/c17-11-6-2-1-5-10(11)15-13(19)16-12(18)9-4-3-7-14-8-9/h1-8,17H,(H2,15,16,18,19)
InChIKeyVSNOHPSYIOGHQU-UHFFFAOYSA-N
XLogP1.91
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide (CID 786715) is N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide is O=C(NC(=S)Nc1ccccc1O)c1cccnc1.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide?
The InChIKey is VSNOHPSYIOGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c17-11-6-2-1-5-10(11)15-13(19)16-12(18)9-4-3-7-14-8-9/h1-8,17H,(H2,15,16,18,19).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide?
N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide is sourced from PubChem (CID 786715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).