N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide

C16H17N3O6 — CID 84572305

IUPACN-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1
InChIInChI=1S/C16H17N3O6/c1-10-6-11(19(22)23)8-18(16(10)21)9-15(20)17-13-7-12(24-2)4-5-14(13)25-3/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyWGQCBAYDELYDCV-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.72
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide

N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 84572305) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID84572305
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1
InChIInChI=1S/C16H17N3O6/c1-10-6-11(19(22)23)8-18(16(10)21)9-15(20)17-13-7-12(24-2)4-5-14(13)25-3/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyWGQCBAYDELYDCV-UHFFFAOYSA-N
XLogP1.72
TPSA112.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572317
2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
CID 84572307
N-(2,5-dimethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2233759
N-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853166
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
N-(2,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520431
N-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 1116125
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide (CID 84572305) is N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide is COc1ccc(OC)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is WGQCBAYDELYDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-10-6-11(19(22)23)8-18(16(10)21)9-15(20)17-13-7-12(24-2)4-5-14(13)25-3/h4-8H,9H2,1-3H3,(H,17,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 347.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 84572305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).