N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide

C9H9N3OS2 — CID 1280746

IUPACN-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=C1SCCS1)c1ccncc1
InChIInChI=1S/C9H9N3OS2/c13-8(7-1-3-10-4-2-7)11-12-9-14-5-6-15-9/h1-4H,5-6H2,(H,11,13)
InChIKeyFJBIRXZBSCRXOA-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.56
Rot. Bonds2

About N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide

N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide (PubChem CID 1280746) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide
PubChem CID1280746
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC NameN-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=C1SCCS1)c1ccncc1
InChIInChI=1S/C9H9N3OS2/c13-8(7-1-3-10-4-2-7)11-12-9-14-5-6-15-9/h1-4H,5-6H2,(H,11,13)
InChIKeyFJBIRXZBSCRXOA-UHFFFAOYSA-N
XLogP1.56
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide (CID 1280746) is N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide is O=C(NN=C1SCCS1)c1ccncc1.
What is the InChIKey of N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide?
The InChIKey is FJBIRXZBSCRXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c13-8(7-1-3-10-4-2-7)11-12-9-14-5-6-15-9/h1-4H,5-6H2,(H,11,13).
What are the key properties of N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide?
N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 1280746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).