[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone

C15H17N3OS2 — CID 162657315

IUPAC[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone
SMILESCSc1cc(C(=O)c2ccc(N(C)C)nc2)cc(SC)n1
InChIInChI=1S/C15H17N3OS2/c1-18(2)12-6-5-10(9-16-12)15(19)11-7-13(20-3)17-14(8-11)21-4/h5-9H,1-4H3
InChIKeyBWYCCQTUNKVQFZ-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.22
Rot. Bonds5

About [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone

[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone (PubChem CID 162657315) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone
PubChem CID162657315
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone
SMILESCSc1cc(C(=O)c2ccc(N(C)C)nc2)cc(SC)n1
InChIInChI=1S/C15H17N3OS2/c1-18(2)12-6-5-10(9-16-12)15(19)11-7-13(20-3)17-14(8-11)21-4/h5-9H,1-4H3
InChIKeyBWYCCQTUNKVQFZ-UHFFFAOYSA-N
XLogP3.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone (CID 162657315) is [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone is CSc1cc(C(=O)c2ccc(N(C)C)nc2)cc(SC)n1.
What is the InChIKey of [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The InChIKey is BWYCCQTUNKVQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-18(2)12-6-5-10(9-16-12)15(19)11-7-13(20-3)17-14(8-11)21-4/h5-9H,1-4H3.
What are the key properties of [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone?
[2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone has a molecular weight of 319.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 162657315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).