1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

C19H16N4O4 — CID 11631957

IUPAC1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H16N4O4/c24-19(21-15-8-4-9-16(12-15)23(25)26)22-18-17(10-5-11-20-18)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,20,21,22,24)
InChIKeyOONPNCJWYSAVGC-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.21
Rot. Bonds6

About 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 11631957) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID11631957
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H16N4O4/c24-19(21-15-8-4-9-16(12-15)23(25)26)22-18-17(10-5-11-20-18)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,20,21,22,24)
InChIKeyOONPNCJWYSAVGC-UHFFFAOYSA-N
XLogP4.21
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.21
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'}

Analyze 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 11631957) is 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is OONPNCJWYSAVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c24-19(21-15-8-4-9-16(12-15)23(25)26)22-18-17(10-5-11-20-18)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,20,21,22,24).
What are the key properties of 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 364.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 11631957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).