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

C16H17N3O4 — CID 84572317

IUPACN-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1
InChIInChI=1S/C16H17N3O4/c1-10-4-5-11(2)14(6-10)17-15(20)9-18-8-13(19(22)23)7-12(3)16(18)21/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyBEFHYLRFFJKAPE-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.32
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 84572317) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID84572317
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1
InChIInChI=1S/C16H17N3O4/c1-10-4-5-11(2)14(6-10)17-15(20)9-18-8-13(19(22)23)7-12(3)16(18)21/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyBEFHYLRFFJKAPE-UHFFFAOYSA-N
XLogP2.32
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
CID 84572307
N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572524
N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572305
N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572516
methyl 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxylate
CID 55561632
ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
CID 84570724
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
N-(2,5-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665571
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 19517187
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2655724
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 121051950
N-(2,5-dimethylphenyl)-2-(5-ethyl-4-oxopyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395562

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide (CID 84572317) is N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is BEFHYLRFFJKAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-4-5-11(2)14(6-10)17-15(20)9-18-8-13(19(22)23)7-12(3)16(18)21/h4-8H,9H2,1-3H3,(H,17,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 84572317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).