1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea

C19H15F3N4O2 — CID 127025156

IUPAC1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea
SMILESCOc1ccc(-c2cc(NC(=O)Nc3ccncc3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H15F3N4O2/c1-28-17-3-2-12(11-24-17)13-8-14(19(20,21)22)10-16(9-13)26-18(27)25-15-4-6-23-7-5-15/h2-11H,1H3,(H2,23,25,26,27)
InChIKeyABNDZZGDDVOZLX-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.82
Rot. Bonds4

About 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea

1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea (PubChem CID 127025156) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea
PubChem CID127025156
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea
SMILESCOc1ccc(-c2cc(NC(=O)Nc3ccncc3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H15F3N4O2/c1-28-17-3-2-12(11-24-17)13-8-14(19(20,21)22)10-16(9-13)26-18(27)25-15-4-6-23-7-5-15/h2-11H,1H3,(H2,23,25,26,27)
InChIKeyABNDZZGDDVOZLX-UHFFFAOYSA-N
XLogP4.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea (CID 127025156) is 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea is COc1ccc(-c2cc(NC(=O)Nc3ccncc3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea?
The InChIKey is ABNDZZGDDVOZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-17-3-2-12(11-24-17)13-8-14(19(20,21)22)10-16(9-13)26-18(27)25-15-4-6-23-7-5-15/h2-11H,1H3,(H2,23,25,26,27).
What are the key properties of 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea?
1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea has a molecular weight of 388.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 127025156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).