1-(3-nitrophenyl)-3-pyridin-3-ylurea

C12H10N4O3 — CID 677080

IUPAC1-(3-nitrophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O3/c17-12(15-10-4-2-6-13-8-10)14-9-3-1-5-11(7-9)16(18)19/h1-8H,(H2,14,15,17)
InChIKeyBSNASVNTOPZGPI-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.63
Rot. Bonds3

About 1-(3-nitrophenyl)-3-pyridin-3-ylurea

1-(3-nitrophenyl)-3-pyridin-3-ylurea (PubChem CID 677080) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-pyridin-3-ylurea
PubChem CID677080
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name1-(3-nitrophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O3/c17-12(15-10-4-2-6-13-8-10)14-9-3-1-5-11(7-9)16(18)19/h1-8H,(H2,14,15,17)
InChIKeyBSNASVNTOPZGPI-UHFFFAOYSA-N
XLogP2.63
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pyridin-3-ylurea 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-pyridin-3-ylurea?
The IUPAC name of 1-(3-nitrophenyl)-3-pyridin-3-ylurea (CID 677080) is 1-(3-nitrophenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3-nitrophenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3-nitrophenyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-pyridin-3-ylurea?
The InChIKey is BSNASVNTOPZGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-12(15-10-4-2-6-13-8-10)14-9-3-1-5-11(7-9)16(18)19/h1-8H,(H2,14,15,17).
What are the key properties of 1-(3-nitrophenyl)-3-pyridin-3-ylurea?
1-(3-nitrophenyl)-3-pyridin-3-ylurea has a molecular weight of 258.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 677080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).