3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea

C12H19N3O2 — CID 75485066

IUPAC3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea
SMILESCCOc1cccc(NC(=O)N(CC)CC)n1
InChIInChI=1S/C12H19N3O2/c1-4-15(5-2)12(16)14-10-8-7-9-11(13-10)17-6-3/h7-9H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyYHTYZBCIJKGYPM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.35
Rot. Bonds5

About 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea

3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea (PubChem CID 75485066) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea
PubChem CID75485066
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea
SMILESCCOc1cccc(NC(=O)N(CC)CC)n1
InChIInChI=1S/C12H19N3O2/c1-4-15(5-2)12(16)14-10-8-7-9-11(13-10)17-6-3/h7-9H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyYHTYZBCIJKGYPM-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea?
The IUPAC name of 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea (CID 75485066) is 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea.
What is the SMILES notation for 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea?
The canonical SMILES for 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea is CCOc1cccc(NC(=O)N(CC)CC)n1.
What is the InChIKey of 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea?
The InChIKey is YHTYZBCIJKGYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-15(5-2)12(16)14-10-8-7-9-11(13-10)17-6-3/h7-9H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea?
3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea has a molecular weight of 237.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-2-pyridinyl)-1,1-diethylurea is sourced from PubChem (CID 75485066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).