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

C23H19FN4O2S — CID 176859928

IUPACN-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cc(C)nc(-c2csc(NC(=O)c3ccc(=O)n(Cc4ccc(F)cc4)c3)n2)c1
InChIInChI=1S/C23H19FN4O2S/c1-14-9-15(2)25-19(10-14)20-13-31-23(26-20)27-22(30)17-5-8-21(29)28(12-17)11-16-3-6-18(24)7-4-16/h3-10,12-13H,11H2,1-2H3,(H,26,27,30)
InChIKeyCLZPGNOCQBLHKS-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.42
Rot. Bonds5

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

N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 176859928) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID176859928
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cc(C)nc(-c2csc(NC(=O)c3ccc(=O)n(Cc4ccc(F)cc4)c3)n2)c1
InChIInChI=1S/C23H19FN4O2S/c1-14-9-15(2)25-19(10-14)20-13-31-23(26-20)27-22(30)17-5-8-21(29)28(12-17)11-16-3-6-18(24)7-4-16/h3-10,12-13H,11H2,1-2H3,(H,26,27,30)
InChIKeyCLZPGNOCQBLHKS-UHFFFAOYSA-N
XLogP4.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 176859492
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
1-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176859901
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176858764
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859571
N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 176859635
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383047
1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176859819

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 176859928) is N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1cc(C)nc(-c2csc(NC(=O)c3ccc(=O)n(Cc4ccc(F)cc4)c3)n2)c1.
What is the InChIKey of N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is CLZPGNOCQBLHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-14-9-15(2)25-19(10-14)20-13-31-23(26-20)27-22(30)17-5-8-21(29)28(12-17)11-16-3-6-18(24)7-4-16/h3-10,12-13H,11H2,1-2H3,(H,26,27,30).
What are the key properties of N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 176859928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).