1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C17H18F3N3O2 — CID 134006403

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCCOc1ncccc1CNC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O2/c1-2-25-15-13(4-3-9-21-15)11-23-16(24)22-10-12-5-7-14(8-6-12)17(18,19)20/h3-9H,2,10-11H2,1H3,(H2,22,23,24)
InChIKeyQRCTVSYGCKCCHV-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.50
Rot. Bonds6

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 134006403) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID134006403
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCCOc1ncccc1CNC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O2/c1-2-25-15-13(4-3-9-21-15)11-23-16(24)22-10-12-5-7-14(8-6-12)17(18,19)20/h3-9H,2,10-11H2,1H3,(H2,22,23,24)
InChIKeyQRCTVSYGCKCCHV-UHFFFAOYSA-N
XLogP3.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]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]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420892
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55739146
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46583960
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
N-[(2-ethoxy-3-pyridinyl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134004654
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 55743685
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 134006403) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is CCOc1ncccc1CNC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is QRCTVSYGCKCCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-2-25-15-13(4-3-9-21-15)11-23-16(24)22-10-12-5-7-14(8-6-12)17(18,19)20/h3-9H,2,10-11H2,1H3,(H2,22,23,24).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 353.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 134006403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).