1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea

C18H14N4O4 — CID 166064685

IUPAC1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])nc2)c1
InChIInChI=1S/C18H14N4O4/c23-18(20-13-5-2-1-3-6-13)21-14-7-4-8-15(11-14)26-16-9-10-17(19-12-16)22(24)25/h1-12H,(H2,20,21,23)
InChIKeyYGWRCXNXLXGGMX-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.43
Rot. Bonds5

About 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea

1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea (PubChem CID 166064685) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
PubChem CID166064685
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])nc2)c1
InChIInChI=1S/C18H14N4O4/c23-18(20-13-5-2-1-3-6-13)21-14-7-4-8-15(11-14)26-16-9-10-17(19-12-16)22(24)25/h1-12H,(H2,20,21,23)
InChIKeyYGWRCXNXLXGGMX-UHFFFAOYSA-N
XLogP4.43
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.43
H-Bond Donors ≤ 52
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

3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
phenyl N-(6-nitro-3-pyridinyl)carbamate
CID 141417930
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
tert-butyl N-[[4-[3-[(6-nitro-3-pyridinyl)oxy]phenoxy]phenyl]methyl]carbamate
CID 141280470
N-methyl-4-[(6-nitro-3-pyridinyl)oxy]benzamide
CID 59686993
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
CID 58968821
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea (CID 166064685) is 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])nc2)c1.
What is the InChIKey of 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea?
The InChIKey is YGWRCXNXLXGGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c23-18(20-13-5-2-1-3-6-13)21-14-7-4-8-15(11-14)26-16-9-10-17(19-12-16)22(24)25/h1-12H,(H2,20,21,23).
What are the key properties of 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea?
1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea has a molecular weight of 350.33 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea is sourced from PubChem (CID 166064685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).