1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one

C19H16N2O5 — CID 157261664

IUPAC1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one
SMILESCOCC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1
InChIInChI=1S/C19H16N2O5/c1-25-12-14(22)10-13-11-15(8-9-20-13)26-19-7-6-18(21(23)24)16-4-2-3-5-17(16)19/h2-9,11H,10,12H2,1H3
InChIKeyYBGBLQLEHQAULQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.69
Rot. Bonds7

About 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one

1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one (PubChem CID 157261664) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one
PubChem CID157261664
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one
SMILESCOCC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1
InChIInChI=1S/C19H16N2O5/c1-25-12-14(22)10-13-11-15(8-9-20-13)26-19-7-6-18(21(23)24)16-4-2-3-5-17(16)19/h2-9,11H,10,12H2,1H3
InChIKeyYBGBLQLEHQAULQ-UHFFFAOYSA-N
XLogP3.69
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
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'}

Analyze 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562
[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
CID 70881346
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]-N-prop-1-en-2-yloxycarbonylcarbamate
CID 67451623
1-[4-[2-(4-nitronaphthalen-1-yl)oxyethyl]-2-pyridinyl]propan-2-one
CID 158727588
1-methoxy-3-(5-nitroquinolin-8-yl)propan-2-one
CID 55163350
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamate
CID 67451903
1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea
CID 67451632
1-methoxy-3-(2-nitrophenyl)propan-2-one
CID 63198880
ethane;1-(4-nitronaphthalen-1-yl)oxypropan-2-one
CID 143171180
1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one
CID 158763587
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863
1-[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]-3-methoxypropan-2-one;2-amino-1H-pyridin-4-one;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(3-methoxy-2-oxopropyl)-4-pyridinyl]oxy]naphthalen-1-yl]urea;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;2-methoxyacetyl chloride;1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one;4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 159190212

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one?
The IUPAC name of 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one (CID 157261664) is 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one is COCC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1.
What is the InChIKey of 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one?
The InChIKey is YBGBLQLEHQAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-25-12-14(22)10-13-11-15(8-9-20-13)26-19-7-6-18(21(23)24)16-4-2-3-5-17(16)19/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one?
1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one has a molecular weight of 352.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 157261664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).