1-anilino-3-pyridin-3-ylurea

C12H12N4O — CID 47127655

IUPAC1-anilino-3-pyridin-3-ylurea
SMILESO=C(NNc1ccccc1)Nc1cccnc1
InChIInChI=1S/C12H12N4O/c17-12(14-11-7-4-8-13-9-11)16-15-10-5-2-1-3-6-10/h1-9,15H,(H2,14,16,17)
InChIKeyUUEMWNVVVNLFID-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.23
Rot. Bonds3

About 1-anilino-3-pyridin-3-ylurea

1-anilino-3-pyridin-3-ylurea (PubChem CID 47127655) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-anilino-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-anilino-3-pyridin-3-ylurea
PubChem CID47127655
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name1-anilino-3-pyridin-3-ylurea
SMILESO=C(NNc1ccccc1)Nc1cccnc1
InChIInChI=1S/C12H12N4O/c17-12(14-11-7-4-8-13-9-11)16-15-10-5-2-1-3-6-10/h1-9,15H,(H2,14,16,17)
InChIKeyUUEMWNVVVNLFID-UHFFFAOYSA-N
XLogP2.23
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-anilino-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

Related Compounds

1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
(2S)-2-hydroxy-2-phenyl-N-pyridin-3-ylacetamide
CID 118541599
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-pyridin-3-ylurea?
The IUPAC name of 1-anilino-3-pyridin-3-ylurea (CID 47127655) is 1-anilino-3-pyridin-3-ylurea.
What is the SMILES notation for 1-anilino-3-pyridin-3-ylurea?
The canonical SMILES for 1-anilino-3-pyridin-3-ylurea is O=C(NNc1ccccc1)Nc1cccnc1.
What is the InChIKey of 1-anilino-3-pyridin-3-ylurea?
The InChIKey is UUEMWNVVVNLFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c17-12(14-11-7-4-8-13-9-11)16-15-10-5-2-1-3-6-10/h1-9,15H,(H2,14,16,17).
What are the key properties of 1-anilino-3-pyridin-3-ylurea?
1-anilino-3-pyridin-3-ylurea has a molecular weight of 228.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-pyridin-3-ylurea is sourced from PubChem (CID 47127655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).