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

C21H24F3N3O2 — CID 55684140

IUPAC1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)17-7-5-15(6-8-17)9-12-26-20(28)27-14-16-10-11-25-19(13-16)29-18-3-1-2-4-18/h5-8,10-11,13,18H,1-4,9,12,14H2,(H2,26,27,28)
InChIKeyWNMROOVOHHSRBK-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.46
Rot. Bonds7

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

1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 55684140) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID55684140
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)17-7-5-15(6-8-17)9-12-26-20(28)27-14-16-10-11-25-19(13-16)29-18-3-1-2-4-18/h5-8,10-11,13,18H,1-4,9,12,14H2,(H2,26,27,28)
InChIKeyWNMROOVOHHSRBK-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]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

4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111171340
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea
CID 124874996
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 129381997
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 55684140) is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccnc(OC2CCCC2)c1.
What is the InChIKey of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is WNMROOVOHHSRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)17-7-5-15(6-8-17)9-12-26-20(28)27-14-16-10-11-25-19(13-16)29-18-3-1-2-4-18/h5-8,10-11,13,18H,1-4,9,12,14H2,(H2,26,27,28).
What are the key properties of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 407.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 55684140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).