1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea

C19H23F3N4O2 — CID 151010205

IUPAC1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)CNc1cc(C(C)NC(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C19H23F3N4O2/c1-12(2)11-24-17-10-14(8-9-23-17)13(3)25-18(27)26-15-4-6-16(7-5-15)28-19(20,21)22/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H2,25,26,27)
InChIKeyLVXSBIOOXUGAFO-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.93
Rot. Bonds7

About 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 151010205) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID151010205
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)CNc1cc(C(C)NC(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C19H23F3N4O2/c1-12(2)11-24-17-10-14(8-9-23-17)13(3)25-18(27)26-15-4-6-16(7-5-15)28-19(20,21)22/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H2,25,26,27)
InChIKeyLVXSBIOOXUGAFO-UHFFFAOYSA-N
XLogP4.93
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 151123049
(2S)-4-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pentanoate
CID 7562583
1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55852205
1-(4-aminobutan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115564848
1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 110027288
2-hydroxy-N-[1-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 150827183
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
methyl 4-[[2-(2-methylpropylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165776
1-(2-methylpropoxy)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115752914
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 151010205) is 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea is CC(C)CNc1cc(C(C)NC(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1.
What is the InChIKey of 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is LVXSBIOOXUGAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-12(2)11-24-17-10-14(8-9-23-17)13(3)25-18(27)26-15-4-6-16(7-5-15)28-19(20,21)22/h4-10,12-13H,11H2,1-3H3,(H,23,24)(H2,25,26,27).
What are the key properties of 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 396.41 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 151010205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).