1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

C19H15F3N4O — CID 91816064

IUPAC1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1cccnc1-c1ccncc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-5-1-2-6-16(15)26-18(27)25-12-14-4-3-9-24-17(14)13-7-10-23-11-8-13/h1-11H,12H2,(H2,25,26,27)
InChIKeyUNLVFFZKXKIIEB-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.48
Rot. Bonds4

About 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 91816064) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID91816064
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1cccnc1-c1ccncc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-5-1-2-6-16(15)26-18(27)25-12-14-4-3-9-24-17(14)13-7-10-23-11-8-13/h1-11H,12H2,(H2,25,26,27)
InChIKeyUNLVFFZKXKIIEB-UHFFFAOYSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 91816031
N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 91816053
2,2-diphenyl-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]acetamide
CID 91816035
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119105072
1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119101576
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997
1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53144596
N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 55743685

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 91816064) is 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCc1cccnc1-c1ccncc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is UNLVFFZKXKIIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)15-5-1-2-6-16(15)26-18(27)25-12-14-4-3-9-24-17(14)13-7-10-23-11-8-13/h1-11H,12H2,(H2,25,26,27).
What are the key properties of 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 372.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 91816064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).