1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

C17H14FN3O2S — CID 172673401

IUPAC1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1cncs1
InChIInChI=1S/C17H14FN3O2S/c1-11-6-7-21(13-4-2-12(18)3-5-13)17(23)15(11)16(22)20-9-14-8-19-10-24-14/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyQHPUQQVBKBTORF-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 172673401) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID172673401
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1cncs1
InChIInChI=1S/C17H14FN3O2S/c1-11-6-7-21(13-4-2-12(18)3-5-13)17(23)15(11)16(22)20-9-14-8-19-10-24-14/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyQHPUQQVBKBTORF-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 172673401) is 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1cncs1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QHPUQQVBKBTORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-11-6-7-21(13-4-2-12(18)3-5-13)17(23)15(11)16(22)20-9-14-8-19-10-24-14/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172673401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).