1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

C15H21N5O2 — CID 51082871

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCCOc1ncccc1CNC(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C15H21N5O2/c1-3-22-14-13(5-4-6-17-14)9-18-15(21)19-12(2)10-20-8-7-16-11-20/h4-8,11-12H,3,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyJRXIAWURHCFUCZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.56
Rot. Bonds7

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea (PubChem CID 51082871) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
PubChem CID51082871
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCCOc1ncccc1CNC(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C15H21N5O2/c1-3-22-14-13(5-4-6-17-14)9-18-15(21)19-12(2)10-20-8-7-16-11-20/h4-8,11-12H,3,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyJRXIAWURHCFUCZ-UHFFFAOYSA-N
XLogP1.56
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-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

Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94178624
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
CID 42891466
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea (CID 51082871) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea is CCOc1ncccc1CNC(=O)NC(C)Cn1ccnc1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The InChIKey is JRXIAWURHCFUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-22-14-13(5-4-6-17-14)9-18-15(21)19-12(2)10-20-8-7-16-11-20/h4-8,11-12H,3,9-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea has a molecular weight of 303.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 51082871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).