6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide

C17H12F3N5O2 — CID 58349133

IUPAC6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)n1
InChIInChI=1S/C17H12F3N5O2/c1-10-3-2-4-12(23-10)16(26)25-14-8-21-9-15(24-14)27-11-5-6-13(22-7-11)17(18,19)20/h2-9H,1H3,(H,24,25,26)
InChIKeyKPRVINNKPRDQLU-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.64
Rot. Bonds4

About 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide

6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 58349133) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide
PubChem CID58349133
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)n1
InChIInChI=1S/C17H12F3N5O2/c1-10-3-2-4-12(23-10)16(26)25-14-8-21-9-15(24-14)27-11-5-6-13(22-7-11)17(18,19)20/h2-9H,1H3,(H,24,25,26)
InChIKeyKPRVINNKPRDQLU-UHFFFAOYSA-N
XLogP3.64
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide (CID 58349133) is 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)n1.
What is the InChIKey of 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is KPRVINNKPRDQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-10-3-2-4-12(23-10)16(26)25-14-8-21-9-15(24-14)27-11-5-6-13(22-7-11)17(18,19)20/h2-9H,1H3,(H,24,25,26).
What are the key properties of 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide?
6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 375.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58349133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).