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

C19H15F3N4O2 — CID 142716778

IUPAC1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESNc1cc(-c2ccc(NC(=O)Nc3cccc(OC(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)28-16-3-1-2-15(11-16)26-18(27)25-14-6-4-12(5-7-14)13-8-9-24-17(23)10-13/h1-11H,(H2,23,24)(H2,25,26,27)
InChIKeyUJEYQDVFTAQNOZ-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.87
Rot. Bonds4

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

1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea (PubChem CID 142716778) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
PubChem CID142716778
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESNc1cc(-c2ccc(NC(=O)Nc3cccc(OC(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)28-16-3-1-2-15(11-16)26-18(27)25-14-6-4-12(5-7-14)13-8-9-24-17(23)10-13/h1-11H,(H2,23,24)(H2,25,26,27)
InChIKeyUJEYQDVFTAQNOZ-UHFFFAOYSA-N
XLogP4.87
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 25135088
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
CID 68563416
1-(1-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-1-ium-2-yl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 162542090
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142602260
2-amino-3-(1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 135387018
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea (CID 142716778) is 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea is Nc1cc(-c2ccc(NC(=O)Nc3cccc(OC(F)(F)F)c3)cc2)ccn1.
What is the InChIKey of 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The InChIKey is UJEYQDVFTAQNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)28-16-3-1-2-15(11-16)26-18(27)25-14-6-4-12(5-7-14)13-8-9-24-17(23)10-13/h1-11H,(H2,23,24)(H2,25,26,27).
What are the key properties of 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea?
1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea has a molecular weight of 388.35 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 142716778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).