N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide

C18H20N4O5 — CID 42974842

IUPACN-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N4O5/c1-13(27-16-3-2-8-19-17(16)22(24)25)18(23)20-14-4-6-15(7-5-14)21-9-11-26-12-10-21/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyFBLHPFWTIGNYME-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.23
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide

N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 42974842) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID42974842
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N4O5/c1-13(27-16-3-2-8-19-17(16)22(24)25)18(23)20-14-4-6-15(7-5-14)21-9-11-26-12-10-21/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyFBLHPFWTIGNYME-UHFFFAOYSA-N
XLogP2.23
TPSA106.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990437
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8644554
2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41251975
2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16959128
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
CID 41036683
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990427
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601558
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913367
N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 40790480

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (CID 42974842) is N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is CC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is FBLHPFWTIGNYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-13(27-16-3-2-8-19-17(16)22(24)25)18(23)20-14-4-6-15(7-5-14)21-9-11-26-12-10-21/h2-8,13H,9-12H2,1H3,(H,20,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 372.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 42974842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).