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

C13H11F3N4O — CID 63063127

IUPAC1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESNc1cnccc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)8-2-1-3-9(6-8)19-12(21)20-11-4-5-18-7-10(11)17/h1-7H,17H2,(H2,18,19,20,21)
InChIKeyKFBHIWDIGAYLDN-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.33
Rot. Bonds2

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

1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 63063127) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID63063127
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESNc1cnccc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)8-2-1-3-9(6-8)19-12(21)20-11-4-5-18-7-10(11)17/h1-7H,17H2,(H2,18,19,20,21)
InChIKeyKFBHIWDIGAYLDN-UHFFFAOYSA-N
XLogP3.33
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-4-pyridinyl)-3-phenylurea
CID 63061923
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
3-fluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyridine-4-carboxamide
CID 121264530
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 146642431
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 63063127) is 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea is Nc1cnccc1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is KFBHIWDIGAYLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)8-2-1-3-9(6-8)19-12(21)20-11-4-5-18-7-10(11)17/h1-7H,17H2,(H2,18,19,20,21).
What are the key properties of 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 296.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 63063127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).