2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide

C19H15N3O2S2 — CID 100978561

IUPAC2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1cccc(S)c1)c1cccc(C(=O)Nc2cccc(S)c2)n1
InChIInChI=1S/C19H15N3O2S2/c23-18(20-12-4-1-6-14(25)10-12)16-8-3-9-17(22-16)19(24)21-13-5-2-7-15(26)11-13/h1-11,25-26H,(H,20,23)(H,21,24)
InChIKeyXCVPHXZUDARQJW-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.16
Rot. Bonds4

About 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 100978561) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide
PubChem CID100978561
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1cccc(S)c1)c1cccc(C(=O)Nc2cccc(S)c2)n1
InChIInChI=1S/C19H15N3O2S2/c23-18(20-12-4-1-6-14(25)10-12)16-8-3-9-17(22-16)19(24)21-13-5-2-7-15(26)11-13/h1-11,25-26H,(H,20,23)(H,21,24)
InChIKeyXCVPHXZUDARQJW-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide (CID 100978561) is 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide is O=C(Nc1cccc(S)c1)c1cccc(C(=O)Nc2cccc(S)c2)n1.
What is the InChIKey of 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is XCVPHXZUDARQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-18(20-12-4-1-6-14(25)10-12)16-8-3-9-17(22-16)19(24)21-13-5-2-7-15(26)11-13/h1-11,25-26H,(H,20,23)(H,21,24).
What are the key properties of 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 100978561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).