2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide

C23H22N4O3S — CID 18587585

IUPAC2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide
SMILESCOc1cn(CC(=O)Nc2cccc3ccccc23)c(CSc2nccn2C)cc1=O
InChIInChI=1S/C23H22N4O3S/c1-26-11-10-24-23(26)31-15-17-12-20(28)21(30-2)13-27(17)14-22(29)25-19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,14-15H2,1-2H3,(H,25,29)
InChIKeyGMXOIRWKSIQBLD-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.67
Rot. Bonds7

About 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide

2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide (PubChem CID 18587585) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide
PubChem CID18587585
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide
SMILESCOc1cn(CC(=O)Nc2cccc3ccccc23)c(CSc2nccn2C)cc1=O
InChIInChI=1S/C23H22N4O3S/c1-26-11-10-24-23(26)31-15-17-12-20(28)21(30-2)13-27(17)14-22(29)25-19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,14-15H2,1-2H3,(H,25,29)
InChIKeyGMXOIRWKSIQBLD-UHFFFAOYSA-N
XLogP3.67
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 18587666
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 27544042
N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844680
N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844664
N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
CID 27652989
N-(2-methoxyphenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
CID 5275167
2-[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 26844686
N-(4-ethylphenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844681
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 18587704
N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585256
N-(3-chlorophenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585241
N-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853166

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide (CID 18587585) is 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide is COc1cn(CC(=O)Nc2cccc3ccccc23)c(CSc2nccn2C)cc1=O.
What is the InChIKey of 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide?
The InChIKey is GMXOIRWKSIQBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-26-11-10-24-23(26)31-15-17-12-20(28)21(30-2)13-27(17)14-22(29)25-19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,14-15H2,1-2H3,(H,25,29).
What are the key properties of 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide?
2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide has a molecular weight of 434.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 18587585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).