N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide

C16H10F3N5O2 — CID 58349186

IUPACN-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)14-3-1-2-13(24-14)15(25)23-10-4-11(6-20-5-10)26-12-7-21-9-22-8-12/h1-9H,(H,23,25)
InChIKeyXQBUQKXUAVFZEI-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.33
Rot. Bonds4

About N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58349186) has the molecular formula C16H10F3N5O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58349186
Molecular FormulaC16H10F3N5O2
Molecular Weight361.28 g/mol
Exact Mass361.08
IUPAC NameN-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)14-3-1-2-13(24-14)15(25)23-10-4-11(6-20-5-10)26-12-7-21-9-22-8-12/h1-9H,(H,23,25)
InChIKeyXQBUQKXUAVFZEI-UHFFFAOYSA-N
XLogP3.33
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 58349186) is N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XQBUQKXUAVFZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2/c17-16(18,19)14-3-1-2-13(24-14)15(25)23-10-4-11(6-20-5-10)26-12-7-21-9-22-8-12/h1-9H,(H,23,25).
What are the key properties of N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 361.28 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrimidin-5-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58349186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).