2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C18H19N3O4 — CID 18193614

IUPAC2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H19N3O4/c1-12(25-16-10-5-11-19-17(16)21(23)24)18(22)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,20,22)
InChIKeyLANXLUQFBAEYDC-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.95
Rot. Bonds5

About 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 18193614) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID18193614
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H19N3O4/c1-12(25-16-10-5-11-19-17(16)21(23)24)18(22)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,20,22)
InChIKeyLANXLUQFBAEYDC-UHFFFAOYSA-N
XLogP2.95
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.95
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

(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832813
2-(2,5-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43907918
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2633121
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770254
(2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2447879
(2S)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2447877
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-nitrobenzoate
CID 7476719
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-nitrobenzoate
CID 7476717
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765372
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-chloro-5-nitrobenzoate
CID 7486625

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 18193614) is 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CC(Oc1cccnc1[N+](=O)[O-])C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is LANXLUQFBAEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(25-16-10-5-11-19-17(16)21(23)24)18(22)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,20,22).
What are the key properties of 2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 341.37 g/mol, XLogP of 2.95, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 18193614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).