N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide

C14H13N3O4 — CID 2319869

IUPACN-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])nc1
InChIInChI=1S/C14H13N3O4/c1-10-6-7-13(15-8-10)16-14(18)9-21-12-5-3-2-4-11(12)17(19)20/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyUJCXEWYNJHOPQD-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.32
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide

N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 2319869) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
PubChem CID2319869
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])nc1
InChIInChI=1S/C14H13N3O4/c1-10-6-7-13(15-8-10)16-14(18)9-21-12-5-3-2-4-11(12)17(19)20/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyUJCXEWYNJHOPQD-UHFFFAOYSA-N
XLogP2.32
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
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

N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
2-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
2-(2-benzylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 60521789
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide (CID 2319869) is N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is UJCXEWYNJHOPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-10-6-7-13(15-8-10)16-14(18)9-21-12-5-3-2-4-11(12)17(19)20/h2-8H,9H2,1H3,(H,15,16,18).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide?
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 287.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2319869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).