1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea

C16H19N3O2 — CID 19012416

IUPAC1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea
SMILESCCCCc1ccc(NC(=O)Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-2-3-7-13-10-11-14(15(20)17-13)19-16(21)18-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyYTKYAINPVJEMDM-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.36
Rot. Bonds5

About 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea

1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea (PubChem CID 19012416) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea
PubChem CID19012416
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea
SMILESCCCCc1ccc(NC(=O)Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-2-3-7-13-10-11-14(15(20)17-13)19-16(21)18-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyYTKYAINPVJEMDM-UHFFFAOYSA-N
XLogP3.36
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea 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-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea?
The IUPAC name of 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea (CID 19012416) is 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea is CCCCc1ccc(NC(=O)Nc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea?
The InChIKey is YTKYAINPVJEMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-3-7-13-10-11-14(15(20)17-13)19-16(21)18-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea?
1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea has a molecular weight of 285.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butyl-2-oxo-1H-pyridin-3-yl)-3-phenylurea is sourced from PubChem (CID 19012416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).