5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide

C20H15N3OS — CID 2833665

IUPAC5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C20H15N3OS/c1-13-17(19(24)23-15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16(12-21)20(25)22-13/h2-11H,1H3,(H,22,25)(H,23,24)
InChIKeyHBBBOKGZOSQNAT-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.84
Rot. Bonds3

About 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide

5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 2833665) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID2833665
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C20H15N3OS/c1-13-17(19(24)23-15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16(12-21)20(25)22-13/h2-11H,1H3,(H,22,25)(H,23,24)
InChIKeyHBBBOKGZOSQNAT-UHFFFAOYSA-N
XLogP4.84
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide (CID 2833665) is 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide is Cc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is HBBBOKGZOSQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-13-17(19(24)23-15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16(12-21)20(25)22-13/h2-11H,1H3,(H,22,25)(H,23,24).
What are the key properties of 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide?
5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N,4-diphenyl-6-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2833665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).