1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea

C19H26N4O3 — CID 118722862

IUPAC1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea
SMILESCCc1ncccc1Oc1cc(CCCCOC)cnc1NC(=O)NC
InChIInChI=1S/C19H26N4O3/c1-4-15-16(9-7-10-21-15)26-17-12-14(8-5-6-11-25-3)13-22-18(17)23-19(24)20-2/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H2,20,22,23,24)
InChIKeyLSXSKCCBGGKZIS-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.55
Rot. Bonds9

About 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea

1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea (PubChem CID 118722862) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea
PubChem CID118722862
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea
SMILESCCc1ncccc1Oc1cc(CCCCOC)cnc1NC(=O)NC
InChIInChI=1S/C19H26N4O3/c1-4-15-16(9-7-10-21-15)26-17-12-14(8-5-6-11-25-3)13-22-18(17)23-19(24)20-2/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H2,20,22,23,24)
InChIKeyLSXSKCCBGGKZIS-UHFFFAOYSA-N
XLogP3.55
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea 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-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea (CID 118722862) is 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea is CCc1ncccc1Oc1cc(CCCCOC)cnc1NC(=O)NC.
What is the InChIKey of 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea?
The InChIKey is LSXSKCCBGGKZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-15-16(9-7-10-21-15)26-17-12-14(8-5-6-11-25-3)13-22-18(17)23-19(24)20-2/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea?
1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea has a molecular weight of 358.44 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(4-methoxybutyl)-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 118722862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).