N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide

C16H17N3O5 — CID 18077542

IUPACN-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Oc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O5/c1-11(24-14-4-3-9-17-15(14)19(21)22)16(20)18-10-12-5-7-13(23-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyYUXWMQZDFKQGIT-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.08
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide

N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 18077542) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID18077542
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Oc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O5/c1-11(24-14-4-3-9-17-15(14)19(21)22)16(20)18-10-12-5-7-13(23-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyYUXWMQZDFKQGIT-UHFFFAOYSA-N
XLogP2.08
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.08
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

(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 40662422
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477368
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 18075857
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8644554
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide (CID 18077542) is N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide is COc1ccc(CNC(=O)C(C)Oc2cccnc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is YUXWMQZDFKQGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-11(24-14-4-3-9-17-15(14)19(21)22)16(20)18-10-12-5-7-13(23-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 331.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 18077542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).