N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide

C15H15N3O3 — CID 71912285

IUPACN-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)cn1
InChIInChI=1S/C15H15N3O3/c1-10-9-16-11(2)6-14(10)17-15(19)8-12-4-3-5-13(7-12)18(20)21/h3-7,9H,8H2,1-2H3,(H,16,17,19)
InChIKeyPCUFQMOYTFOVEJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.79
Rot. Bonds4

About N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide

N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide (PubChem CID 71912285) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
PubChem CID71912285
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)cn1
InChIInChI=1S/C15H15N3O3/c1-10-9-16-11(2)6-14(10)17-15(19)8-12-4-3-5-13(7-12)18(20)21/h3-7,9H,8H2,1-2H3,(H,16,17,19)
InChIKeyPCUFQMOYTFOVEJ-UHFFFAOYSA-N
XLogP2.79
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.79
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-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
CID 115648809
N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71919211
6-methyl-4-[(3-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244731
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
N-(2-amino-5-fluorophenyl)-2-(3-nitrophenyl)acetamide
CID 115736626
N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
CID 102989201
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 100698766
sodium 2-(3-nitrophenyl)acetate
CID 20571503

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide (CID 71912285) is N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide is Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)cn1.
What is the InChIKey of N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide?
The InChIKey is PCUFQMOYTFOVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-9-16-11(2)6-14(10)17-15(19)8-12-4-3-5-13(7-12)18(20)21/h3-7,9H,8H2,1-2H3,(H,16,17,19).
What are the key properties of N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide?
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 71912285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).