N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide

C22H23ClN4O3S — CID 27536618

IUPACN-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2nc(C)cc(C)n2)cc1=O
InChIInChI=1S/C22H23ClN4O3S/c1-13-5-6-16(8-18(13)23)26-21(29)11-27-10-20(30-4)19(28)9-17(27)12-31-22-24-14(2)7-15(3)25-22/h5-10H,11-12H2,1-4H3,(H,26,29)
InChIKeyRAXPCPBXSVTKHM-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.16
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide

N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 27536618) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
PubChem CID27536618
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2nc(C)cc(C)n2)cc1=O
InChIInChI=1S/C22H23ClN4O3S/c1-13-5-6-16(8-18(13)23)26-21(29)11-27-10-20(30-4)19(28)9-17(27)12-31-22-24-14(2)7-15(3)25-22/h5-10H,11-12H2,1-4H3,(H,26,29)
InChIKeyRAXPCPBXSVTKHM-UHFFFAOYSA-N
XLogP4.16
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587739
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 18587666
2-[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 26844686
N-(3-chlorophenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585241
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 18587735
N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
CID 27652989
2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 22585214
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 27544042
N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585256
N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844664

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 27536618) is N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2nc(C)cc(C)n2)cc1=O.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The InChIKey is RAXPCPBXSVTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-13-5-6-16(8-18(13)23)26-21(29)11-27-10-20(30-4)19(28)9-17(27)12-31-22-24-14(2)7-15(3)25-22/h5-10H,11-12H2,1-4H3,(H,26,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27536618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).