N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide

C16H15N3O5 — CID 16959114

IUPACN-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)COc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c1-2-15(21)18-12-7-5-11(6-8-12)13(20)10-24-14-4-3-9-17-16(14)19(22)23/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyKUBLLXTVYSFBRB-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.60
Rot. Bonds7

About N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide

N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide (PubChem CID 16959114) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
PubChem CID16959114
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)COc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c1-2-15(21)18-12-7-5-11(6-8-12)13(20)10-24-14-4-3-9-17-16(14)19(22)23/h3-9H,2,10H2,1H3,(H,18,21)
InChIKeyKUBLLXTVYSFBRB-UHFFFAOYSA-N
XLogP2.60
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 16959110
N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
CID 7438373
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
1-(3,4-difluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
CID 18077402
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8893390
N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 16796852
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide (CID 16959114) is N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)COc2cccnc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide?
The InChIKey is KUBLLXTVYSFBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-2-15(21)18-12-7-5-11(6-8-12)13(20)10-24-14-4-3-9-17-16(14)19(22)23/h3-9H,2,10H2,1H3,(H,18,21).
What are the key properties of N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide?
N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide has a molecular weight of 329.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide is sourced from PubChem (CID 16959114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).