N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide

C18H12F3N3O2 — CID 2800173

IUPACN-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)13-5-3-12(4-6-13)17(25)24-14-7-8-16(23-10-14)26-15-2-1-9-22-11-15/h1-11H,(H,24,25)
InChIKeyKHXKGSZCUMQYDV-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.54
Rot. Bonds4

About N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide

N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 2800173) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID2800173
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC NameN-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)13-5-3-12(4-6-13)17(25)24-14-7-8-16(23-10-14)26-15-2-1-9-22-11-15/h1-11H,(H,24,25)
InChIKeyKHXKGSZCUMQYDV-UHFFFAOYSA-N
XLogP4.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide (CID 2800173) is N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is KHXKGSZCUMQYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-18(20,21)13-5-3-12(4-6-13)17(25)24-14-7-8-16(23-10-14)26-15-2-1-9-22-11-15/h1-11H,(H,24,25).
What are the key properties of N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide?
N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 359.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyridin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2800173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).