1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide

C16H14N4O2S — CID 7422736

IUPAC1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1nnc(NC(=O)c2cccn(Cc3ccccc3)c2=O)s1
InChIInChI=1S/C16H14N4O2S/c1-11-18-19-16(23-11)17-14(21)13-8-5-9-20(15(13)22)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19,21)
InChIKeyAWXJOBHGVOEQJV-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.31
Rot. Bonds4

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

1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7422736) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
PubChem CID7422736
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1nnc(NC(=O)c2cccn(Cc3ccccc3)c2=O)s1
InChIInChI=1S/C16H14N4O2S/c1-11-18-19-16(23-11)17-14(21)13-8-5-9-20(15(13)22)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19,21)
InChIKeyAWXJOBHGVOEQJV-UHFFFAOYSA-N
XLogP2.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide (CID 7422736) is 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide is Cc1nnc(NC(=O)c2cccn(Cc3ccccc3)c2=O)s1.
What is the InChIKey of 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is AWXJOBHGVOEQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-18-19-16(23-11)17-14(21)13-8-5-9-20(15(13)22)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19,21).
What are the key properties of 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).