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

C16H13FN4O2S — CID 7597657

IUPAC1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1nnc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)s1
InChIInChI=1S/C16H13FN4O2S/c1-10-19-20-16(24-10)18-14(22)13-6-3-7-21(15(13)23)9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H,18,20,22)
InChIKeyHNIMAJBJXQYEIL-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.45
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7597657) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
PubChem CID7597657
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1nnc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)s1
InChIInChI=1S/C16H13FN4O2S/c1-10-19-20-16(24-10)18-14(22)13-6-3-7-21(15(13)23)9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H,18,20,22)
InChIKeyHNIMAJBJXQYEIL-UHFFFAOYSA-N
XLogP2.45
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide (CID 7597657) is 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide is Cc1nnc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)s1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is HNIMAJBJXQYEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-10-19-20-16(24-10)18-14(22)13-6-3-7-21(15(13)23)9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H,18,20,22).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7597657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).