1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide

C22H17FN4O2S — CID 176859901

IUPAC1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)c3ccn(Cc4ccc(F)cc4)c(=O)c3)n2)n1
InChIInChI=1S/C22H17FN4O2S/c1-14-3-2-4-18(24-14)19-13-30-22(25-19)26-21(29)16-9-10-27(20(28)11-16)12-15-5-7-17(23)8-6-15/h2-11,13H,12H2,1H3,(H,25,26,29)
InChIKeyWZAJZIWRHHZZNH-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.11
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide (PubChem CID 176859901) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
PubChem CID176859901
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)c3ccn(Cc4ccc(F)cc4)c(=O)c3)n2)n1
InChIInChI=1S/C22H17FN4O2S/c1-14-3-2-4-18(24-14)19-13-30-22(25-19)26-21(29)16-9-10-27(20(28)11-16)12-15-5-7-17(23)8-6-15/h2-11,13H,12H2,1H3,(H,25,26,29)
InChIKeyWZAJZIWRHHZZNH-UHFFFAOYSA-N
XLogP4.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176858949
1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176859131
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859571
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 176859928
N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859711
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176858764
1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176858663
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859253
2-(4-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176859934
1-benzyl-5-chloro-3-methyl-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176858961
1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 176859492
1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43071659

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide (CID 176859901) is 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide is Cc1cccc(-c2csc(NC(=O)c3ccn(Cc4ccc(F)cc4)c(=O)c3)n2)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?
The InChIKey is WZAJZIWRHHZZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-14-3-2-4-18(24-14)19-13-30-22(25-19)26-21(29)16-9-10-27(20(28)11-16)12-15-5-7-17(23)8-6-15/h2-11,13H,12H2,1H3,(H,25,26,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 176859901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).