N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide

C14H13N3O3 — CID 795393

IUPACN-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide
SMILESCc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O3/c1-10-6-7-15-13(8-10)16-14(18)9-11-2-4-12(5-3-11)17(19)20/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyYQGNPJJGAAILMG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.48
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide

N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide (PubChem CID 795393) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide
PubChem CID795393
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide
SMILESCc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O3/c1-10-6-7-15-13(8-10)16-14(18)9-11-2-4-12(5-3-11)17(19)20/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyYQGNPJJGAAILMG-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide (CID 795393) is N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide is Cc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is YQGNPJJGAAILMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-6-7-15-13(8-10)16-14(18)9-11-2-4-12(5-3-11)17(19)20/h2-8H,9H2,1H3,(H,15,16,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
N-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide 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-(4-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 795393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).