2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide

C14H13N3O4 — CID 18077545

IUPAC2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O4/c1-10(14(18)16-11-6-3-2-4-7-11)21-12-8-5-9-15-13(12)17(19)20/h2-10H,1H3,(H,16,18)
InChIKeyXDFRTKMLPXPYHW-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.40
Rot. Bonds5

About 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide

2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide (PubChem CID 18077545) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
PubChem CID18077545
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O4/c1-10(14(18)16-11-6-3-2-4-7-11)21-12-8-5-9-15-13(12)17(19)20/h2-10H,1H3,(H,16,18)
InChIKeyXDFRTKMLPXPYHW-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16959128
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
CID 41036683
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 8643321
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8644554
(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 40662422
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 103547811

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide (CID 18077545) is 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide is CC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide?
The InChIKey is XDFRTKMLPXPYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-10(14(18)16-11-6-3-2-4-7-11)21-12-8-5-9-15-13(12)17(19)20/h2-10H,1H3,(H,16,18).
What are the key properties of 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide?
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide has a molecular weight of 287.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide is sourced from PubChem (CID 18077545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).