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

C14H23N3O2 — CID 19012318

IUPAC1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea
SMILESCCCCNC(=O)Nc1ccc(CCCC)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11-8-9-12(13(18)16-11)17-14(19)15-10-6-4-2/h8-9H,3-7,10H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyFBDAJGBVOMGECF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.64
Rot. Bonds7

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

1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea (PubChem CID 19012318) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea
PubChem CID19012318
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea
SMILESCCCCNC(=O)Nc1ccc(CCCC)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11-8-9-12(13(18)16-11)17-14(19)15-10-6-4-2/h8-9H,3-7,10H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyFBDAJGBVOMGECF-UHFFFAOYSA-N
XLogP2.64
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)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-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea?
The IUPAC name of 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea (CID 19012318) is 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea.
What is the SMILES notation for 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea?
The canonical SMILES for 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea is CCCCNC(=O)Nc1ccc(CCCC)[nH]c1=O.
What is the InChIKey of 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea?
The InChIKey is FBDAJGBVOMGECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-7-11-8-9-12(13(18)16-11)17-14(19)15-10-6-4-2/h8-9H,3-7,10H2,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea?
1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea is sourced from PubChem (CID 19012318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).