1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

C17H22N4O3 — CID 155543626

IUPAC1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCCOCCc1cnc(NC(=O)NC)cc1Oc1cncc(C)c1
InChIInChI=1S/C17H22N4O3/c1-4-23-6-5-13-10-20-16(21-17(22)18-3)8-15(13)24-14-7-12(2)9-19-11-14/h7-11H,4-6H2,1-3H3,(H2,18,20,21,22)
InChIKeyKKYXCDNGTUJMIB-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.91
Rot. Bonds7

About 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea

1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (PubChem CID 155543626) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
PubChem CID155543626
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
SMILESCCOCCc1cnc(NC(=O)NC)cc1Oc1cncc(C)c1
InChIInChI=1S/C17H22N4O3/c1-4-23-6-5-13-10-20-16(21-17(22)18-3)8-15(13)24-14-7-12(2)9-19-11-14/h7-11H,4-6H2,1-3H3,(H2,18,20,21,22)
InChIKeyKKYXCDNGTUJMIB-UHFFFAOYSA-N
XLogP2.91
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea (CID 155543626) is 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is CCOCCc1cnc(NC(=O)NC)cc1Oc1cncc(C)c1.
What is the InChIKey of 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
The InChIKey is KKYXCDNGTUJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-23-6-5-13-10-20-16(21-17(22)18-3)8-15(13)24-14-7-12(2)9-19-11-14/h7-11H,4-6H2,1-3H3,(H2,18,20,21,22).
What are the key properties of 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea?
1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea has a molecular weight of 330.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethoxyethyl)-4-[(5-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155543626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).