1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea

C21H17F3N4O3 — CID 3575476

IUPAC1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea
SMILESO=C(NNC(=O)N(c1ccccc1)c1ccccc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)14-31-18-12-11-15(13-25-18)19(29)26-27-20(30)28(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2,(H,26,29)(H,27,30)
InChIKeySWOJBIRVXFYJMO-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.22
Rot. Bonds5

About 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea

1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea (PubChem CID 3575476) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea.

Molecular Properties

Compound Name1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea
PubChem CID3575476
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea
SMILESO=C(NNC(=O)N(c1ccccc1)c1ccccc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)14-31-18-12-11-15(13-25-18)19(29)26-27-20(30)28(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2,(H,26,29)(H,27,30)
InChIKeySWOJBIRVXFYJMO-UHFFFAOYSA-N
XLogP4.22
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
N-(benzenecarboximidoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146674404
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 51324936
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 24607749
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24603270
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119523407
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)benzenecarboximidoyl]pyridine-3-carboxamide
CID 171130037
4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229368

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea?
The IUPAC name of 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea (CID 3575476) is 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea.
What is the SMILES notation for 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea?
The canonical SMILES for 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea is O=C(NNC(=O)N(c1ccccc1)c1ccccc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea?
The InChIKey is SWOJBIRVXFYJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)14-31-18-12-11-15(13-25-18)19(29)26-27-20(30)28(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2,(H,26,29)(H,27,30).
What are the key properties of 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea?
1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea has a molecular weight of 430.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]urea is sourced from PubChem (CID 3575476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).