1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide

C22H23N3O3S — CID 172669476

IUPAC1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-n2ccc(C)c(C(=O)Nc3ccccc3SC(C)C)c2=O)cn1
InChIInChI=1S/C22H23N3O3S/c1-14(2)29-18-8-6-5-7-17(18)24-21(26)20-15(3)11-12-25(22(20)27)16-9-10-19(28-4)23-13-16/h5-14H,1-4H3,(H,24,26)
InChIKeyARCGGGDHWQLWMY-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.30
Rot. Bonds6

About 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide

1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 172669476) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID172669476
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-n2ccc(C)c(C(=O)Nc3ccccc3SC(C)C)c2=O)cn1
InChIInChI=1S/C22H23N3O3S/c1-14(2)29-18-8-6-5-7-17(18)24-21(26)20-15(3)11-12-25(22(20)27)16-9-10-19(28-4)23-13-16/h5-14H,1-4H3,(H,24,26)
InChIKeyARCGGGDHWQLWMY-UHFFFAOYSA-N
XLogP4.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide (CID 172669476) is 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide is COc1ccc(-n2ccc(C)c(C(=O)Nc3ccccc3SC(C)C)c2=O)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is ARCGGGDHWQLWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14(2)29-18-8-6-5-7-17(18)24-21(26)20-15(3)11-12-25(22(20)27)16-9-10-19(28-4)23-13-16/h5-14H,1-4H3,(H,24,26).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide?
1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 172669476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).