1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

C17H19F3N4O — CID 38234794

IUPAC1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCNc1ccccn1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-6-4-13(5-7-14)8-10-23-16(25)24-12-11-22-15-3-1-2-9-21-15/h1-7,9H,8,10-12H2,(H,21,22)(H2,23,24,25)
InChIKeyQPHPGGKBBVYOAY-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.05
Rot. Bonds7

About 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 38234794) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID38234794
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCNc1ccccn1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-6-4-13(5-7-14)8-10-23-16(25)24-12-11-22-15-3-1-2-9-21-15/h1-7,9H,8,10-12H2,(H,21,22)(H2,23,24,25)
InChIKeyQPHPGGKBBVYOAY-UHFFFAOYSA-N
XLogP3.05
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
1-[(3-fluoro-4-methylphenyl)methyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 38234865
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55739146
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
1-(2-pyridin-4-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]urea
CID 2798061
1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684161
2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154260012
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111421314
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
CID 38167227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 38234794) is 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is O=C(NCCNc1ccccn1)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is QPHPGGKBBVYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)14-6-4-13(5-7-14)8-10-23-16(25)24-12-11-22-15-3-1-2-9-21-15/h1-7,9H,8,10-12H2,(H,21,22)(H2,23,24,25).
What are the key properties of 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 352.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 38234794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).