N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide

C13H11N3O2S — CID 139163644

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc[nH]c1=S
InChIInChI=1S/C13H11N3O2S/c17-11-6-2-1-4-9(11)8-15-16-12(18)10-5-3-7-14-13(10)19/h1-8,17H,(H,14,19)(H,16,18)/b15-8+
InChIKeyWZBBRWRUZYDLTO-OVCLIPMQSA-N
MW273.32 g/mol
LogP2.21
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 139163644) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID139163644
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc[nH]c1=S
InChIInChI=1S/C13H11N3O2S/c17-11-6-2-1-4-9(11)8-15-16-12(18)10-5-3-7-14-13(10)19/h1-8,17H,(H,14,19)(H,16,18)/b15-8+
InChIKeyWZBBRWRUZYDLTO-OVCLIPMQSA-N
XLogP2.21
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
CID 137104191
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
CID 3641500
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135479229

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 139163644) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(N/N=C/c1ccccc1O)c1ccc[nH]c1=S.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is WZBBRWRUZYDLTO-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11N3O2S/c17-11-6-2-1-4-9(11)8-15-16-12(18)10-5-3-7-14-13(10)19/h1-8,17H,(H,14,19)(H,16,18)/b15-8+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 139163644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).