N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide

C14H13N3O3 — CID 110468233

IUPACN-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide
SMILESCc1c(NC(=O)Cc2ccccn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O3/c1-10-12(6-4-7-13(10)17(19)20)16-14(18)9-11-5-2-3-8-15-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyOGUIFJSMFMYSFP-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.48
Rot. Bonds4

About N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide

N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide (PubChem CID 110468233) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide
PubChem CID110468233
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide
SMILESCc1c(NC(=O)Cc2ccccn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O3/c1-10-12(6-4-7-13(10)17(19)20)16-14(18)9-11-5-2-3-8-15-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyOGUIFJSMFMYSFP-UHFFFAOYSA-N
XLogP2.48
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55811564
N-naphthalen-1-yl-2-pyridin-2-ylacetamide
CID 110468215
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide (CID 110468233) is N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide is Cc1c(NC(=O)Cc2ccccn2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide?
The InChIKey is OGUIFJSMFMYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-12(6-4-7-13(10)17(19)20)16-14(18)9-11-5-2-3-8-15-11/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide?
N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide has a molecular weight of 271.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 110468233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).