6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide

C17H18N2O2S — CID 75375644

IUPAC6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)c1c[nH]c(C)cc1=O)CCS2
InChIInChI=1S/C17H18N2O2S/c1-10-3-4-16-12(7-10)14(5-6-22-16)19-17(21)13-9-18-11(2)8-15(13)20/h3-4,7-9,14H,5-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXMOPCMLMOVHPGP-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.96
Rot. Bonds2

About 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 75375644) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID75375644
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)c1c[nH]c(C)cc1=O)CCS2
InChIInChI=1S/C17H18N2O2S/c1-10-3-4-16-12(7-10)14(5-6-22-16)19-17(21)13-9-18-11(2)8-15(13)20/h3-4,7-9,14H,5-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXMOPCMLMOVHPGP-UHFFFAOYSA-N
XLogP2.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 75375644) is 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)C(NC(=O)c1c[nH]c(C)cc1=O)CCS2.
What is the InChIKey of 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XMOPCMLMOVHPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-10-3-4-16-12(7-10)14(5-6-22-16)19-17(21)13-9-18-11(2)8-15(13)20/h3-4,7-9,14H,5-6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75375644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).