1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea

C12H17N3O2 — CID 47042542

IUPAC1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea
SMILESCCN(C(=O)Nc1cccnc1OC)C1CC1
InChIInChI=1S/C12H17N3O2/c1-3-15(9-6-7-9)12(16)14-10-5-4-8-13-11(10)17-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyMIMWYRNQPLLNSV-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.11
Rot. Bonds4

About 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea

1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 47042542) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea
PubChem CID47042542
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea
SMILESCCN(C(=O)Nc1cccnc1OC)C1CC1
InChIInChI=1S/C12H17N3O2/c1-3-15(9-6-7-9)12(16)14-10-5-4-8-13-11(10)17-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyMIMWYRNQPLLNSV-UHFFFAOYSA-N
XLogP2.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)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-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea (CID 47042542) is 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea is CCN(C(=O)Nc1cccnc1OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is MIMWYRNQPLLNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-15(9-6-7-9)12(16)14-10-5-4-8-13-11(10)17-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea?
1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 235.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethyl-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 47042542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).