5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide

C14H20N2O2S — CID 163242161

IUPAC5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2(C)CCS(=O)CC2)cnc1C
InChIInChI=1S/C14H20N2O2S/c1-10-8-12(9-15-11(10)2)13(17)16-14(3)4-6-19(18)7-5-14/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyXVDJQXLVTRPANC-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.73
Rot. Bonds2

About 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide

5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide (PubChem CID 163242161) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide
PubChem CID163242161
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2(C)CCS(=O)CC2)cnc1C
InChIInChI=1S/C14H20N2O2S/c1-10-8-12(9-15-11(10)2)13(17)16-14(3)4-6-19(18)7-5-14/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyXVDJQXLVTRPANC-UHFFFAOYSA-N
XLogP1.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide (CID 163242161) is 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide is Cc1cc(C(=O)NC2(C)CCS(=O)CC2)cnc1C.
What is the InChIKey of 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide?
The InChIKey is XVDJQXLVTRPANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-8-12(9-15-11(10)2)13(17)16-14(3)4-6-19(18)7-5-14/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide?
5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(4-methyl-1-oxothian-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 163242161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).