N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide

C19H21N7O4S — CID 26844664

IUPACN-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2nnnn2C)cc1=O
InChIInChI=1S/C19H21N7O4S/c1-12(27)20-13-4-6-14(7-5-13)21-18(29)10-26-9-17(30-3)16(28)8-15(26)11-31-19-22-23-24-25(19)2/h4-9H,10-11H2,1-3H3,(H,20,27)(H,21,29)
InChIKeyYRVZBVRUKHASBH-UHFFFAOYSA-N
MW443.49 g/mol
LogP1.27
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide

N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 26844664) has the molecular formula C19H21N7O4S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID26844664
Molecular FormulaC19H21N7O4S
Molecular Weight443.49 g/mol
Exact Mass443.14
IUPAC NameN-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2nnnn2C)cc1=O
InChIInChI=1S/C19H21N7O4S/c1-12(27)20-13-4-6-14(7-5-13)21-18(29)10-26-9-17(30-3)16(28)8-15(26)11-31-19-22-23-24-25(19)2/h4-9H,10-11H2,1-3H3,(H,20,27)(H,21,29)
InChIKeyYRVZBVRUKHASBH-UHFFFAOYSA-N
XLogP1.27
TPSA133.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18587644
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 27544042
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844659
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-(4-ethylphenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844681
N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
CID 27652989
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18587626
N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 24666834
N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27536618
N-(1,3-benzodioxol-5-yl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587739

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (CID 26844664) is N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2nnnn2C)cc1=O.
What is the InChIKey of N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is YRVZBVRUKHASBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4S/c1-12(27)20-13-4-6-14(7-5-13)21-18(29)10-26-9-17(30-3)16(28)8-15(26)11-31-19-22-23-24-25(19)2/h4-9H,10-11H2,1-3H3,(H,20,27)(H,21,29).
What are the key properties of N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 443.49 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 26844664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).