1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide

C17H16N4O2S — CID 7422803

IUPAC1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)Nc3nnc(C)s3)c2=O)cc1
InChIInChI=1S/C17H16N4O2S/c1-11-5-7-13(8-6-11)10-21-9-3-4-14(16(21)23)15(22)18-17-20-19-12(2)24-17/h3-9H,10H2,1-2H3,(H,18,20,22)
InChIKeyWWFDRIKGFHDDMC-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.62
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide

1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7422803) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
PubChem CID7422803
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)Nc3nnc(C)s3)c2=O)cc1
InChIInChI=1S/C17H16N4O2S/c1-11-5-7-13(8-6-11)10-21-9-3-4-14(16(21)23)15(22)18-17-20-19-12(2)24-17/h3-9H,10H2,1-2H3,(H,18,20,22)
InChIKeyWWFDRIKGFHDDMC-UHFFFAOYSA-N
XLogP2.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide (CID 7422803) is 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide is Cc1ccc(Cn2cccc(C(=O)Nc3nnc(C)s3)c2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is WWFDRIKGFHDDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-5-7-13(8-6-11)10-21-9-3-4-14(16(21)23)15(22)18-17-20-19-12(2)24-17/h3-9H,10H2,1-2H3,(H,18,20,22).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).