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

C22H17FN4O2S — CID 176859571

IUPACN-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
SMILESCc1ccc(Cn2ccc(C(=O)Nc3nc(-c4cc(F)ccn4)cs3)cc2=O)cc1
InChIInChI=1S/C22H17FN4O2S/c1-14-2-4-15(5-3-14)12-27-9-7-16(10-20(27)28)21(29)26-22-25-19(13-30-22)18-11-17(23)6-8-24-18/h2-11,13H,12H2,1H3,(H,25,26,29)
InChIKeyWJPCECFHTPNZMG-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.11
Rot. Bonds5

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

N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide (PubChem CID 176859571) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
PubChem CID176859571
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC NameN-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
SMILESCc1ccc(Cn2ccc(C(=O)Nc3nc(-c4cc(F)ccn4)cs3)cc2=O)cc1
InChIInChI=1S/C22H17FN4O2S/c1-14-2-4-15(5-3-14)12-27-9-7-16(10-20(27)28)21(29)26-22-25-19(13-30-22)18-11-17(23)6-8-24-18/h2-11,13H,12H2,1H3,(H,25,26,29)
InChIKeyWJPCECFHTPNZMG-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-[(4-fluorophenyl)methyl]-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176859901
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-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859253
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-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 176859928
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-ethylphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 52733543
5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
CID 176859356
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide (CID 176859571) is N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide is Cc1ccc(Cn2ccc(C(=O)Nc3nc(-c4cc(F)ccn4)cs3)cc2=O)cc1.
What is the InChIKey of N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The InChIKey is WJPCECFHTPNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-14-2-4-15(5-3-14)12-27-9-7-16(10-20(27)28)21(29)26-22-25-19(13-30-22)18-11-17(23)6-8-24-18/h2-11,13H,12H2,1H3,(H,25,26,29).
What are the key properties of N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-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 N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 176859571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).