N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide

C9H10N2OS2 — CID 14144797

IUPACN-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide
SMILESCSC(=NC(=O)c1ccncc1)SC
InChIInChI=1S/C9H10N2OS2/c1-13-9(14-2)11-8(12)7-3-5-10-6-4-7/h3-6H,1-2H3
InChIKeySMANVHZYEBILGR-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.30
Rot. Bonds1

About N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide

N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide (PubChem CID 14144797) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide
PubChem CID14144797
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC NameN-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide
SMILESCSC(=NC(=O)c1ccncc1)SC
InChIInChI=1S/C9H10N2OS2/c1-13-9(14-2)11-8(12)7-3-5-10-6-4-7/h3-6H,1-2H3
InChIKeySMANVHZYEBILGR-UHFFFAOYSA-N
XLogP2.30
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide?
The IUPAC name of N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide (CID 14144797) is N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide.
What is the SMILES notation for N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide?
The canonical SMILES for N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide is CSC(=NC(=O)c1ccncc1)SC.
What is the InChIKey of N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide?
The InChIKey is SMANVHZYEBILGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-13-9(14-2)11-8(12)7-3-5-10-6-4-7/h3-6H,1-2H3.
What are the key properties of N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide?
N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide has a molecular weight of 226.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide is sourced from PubChem (CID 14144797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).