1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

C19H22F3N3O — CID 119059626

IUPAC1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCCC(c1cccnc1)N(C)C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O/c1-3-17(15-7-5-10-23-13-15)25(2)18(26)24-11-9-14-6-4-8-16(12-14)19(20,21)22/h4-8,10,12-13,17H,3,9,11H2,1-2H3,(H,24,26)
InChIKeyICSDJEHFOHDXGQ-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.44
Rot. Bonds6

About 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 119059626) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID119059626
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCCC(c1cccnc1)N(C)C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O/c1-3-17(15-7-5-10-23-13-15)25(2)18(26)24-11-9-14-6-4-8-16(12-14)19(20,21)22/h4-8,10,12-13,17H,3,9,11H2,1-2H3,(H,24,26)
InChIKeyICSDJEHFOHDXGQ-UHFFFAOYSA-N
XLogP4.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-1-[(1R)-1-pyridin-3-ylpropyl]urea
CID 126434780
3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95762797
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 119067663
2-[ethyl(methyl)amino]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]butanamide;formic acid
CID 154913500
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
5-methyl-N-(2-pyridin-3-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30768894
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea
CID 134836754
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 119059626) is 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is CCC(c1cccnc1)N(C)C(=O)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is ICSDJEHFOHDXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-3-17(15-7-5-10-23-13-15)25(2)18(26)24-11-9-14-6-4-8-16(12-14)19(20,21)22/h4-8,10,12-13,17H,3,9,11H2,1-2H3,(H,24,26).
What are the key properties of 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 365.40 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 119059626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).