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

C24H22N4O2S — CID 176859253

IUPACN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
SMILESCc1cccc(Cn2ccc(C(=O)Nc3nc(-c4nccc(C)c4C)cs3)cc2=O)c1
InChIInChI=1S/C24H22N4O2S/c1-15-5-4-6-18(11-15)13-28-10-8-19(12-21(28)29)23(30)27-24-26-20(14-31-24)22-17(3)16(2)7-9-25-22/h4-12,14H,13H2,1-3H3,(H,26,27,30)
InChIKeyCLFQHTCJSYFQMS-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.59
Rot. Bonds5

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

N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide (PubChem CID 176859253) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
PubChem CID176859253
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
SMILESCc1cccc(Cn2ccc(C(=O)Nc3nc(-c4nccc(C)c4C)cs3)cc2=O)c1
InChIInChI=1S/C24H22N4O2S/c1-15-5-4-6-18(11-15)13-28-10-8-19(12-21(28)29)23(30)27-24-26-20(14-31-24)22-17(3)16(2)7-9-25-22/h4-12,14H,13H2,1-3H3,(H,26,27,30)
InChIKeyCLFQHTCJSYFQMS-UHFFFAOYSA-N
XLogP4.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859711
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-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-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-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176858764
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
CID 176858783
N-(5-fluoro-4-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 176858974
2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442503
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859725
3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9192718

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide (CID 176859253) is N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide is Cc1cccc(Cn2ccc(C(=O)Nc3nc(-c4nccc(C)c4C)cs3)cc2=O)c1.
What is the InChIKey of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
The InChIKey is CLFQHTCJSYFQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-5-4-6-18(11-15)13-28-10-8-19(12-21(28)29)23(30)27-24-26-20(14-31-24)22-17(3)16(2)7-9-25-22/h4-12,14H,13H2,1-3H3,(H,26,27,30).
What are the key properties of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide?
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 176859253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).