5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H15F3N4O3 — CID 166487335

IUPAC5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cncc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)n1
InChIInChI=1S/C19H15F3N4O3/c1-10-7-24-8-12(25-10)9-29-13-4-2-11(3-5-13)14-6-15(17(23)27)18(28)26-16(14)19(20,21)22/h2-8H,9H2,1H3,(H2,23,27)(H,26,28)
InChIKeyRVJVKNKPZHTCSQ-UHFFFAOYSA-N
MW404.35 g/mol
LogP2.84
Rot. Bonds5

About 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487335) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487335
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cncc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)n1
InChIInChI=1S/C19H15F3N4O3/c1-10-7-24-8-12(25-10)9-29-13-4-2-11(3-5-13)14-6-15(17(23)27)18(28)26-16(14)19(20,21)22/h2-8H,9H2,1H3,(H2,23,27)(H,26,28)
InChIKeyRVJVKNKPZHTCSQ-UHFFFAOYSA-N
XLogP2.84
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487335) is 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1cncc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)n1.
What is the InChIKey of 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RVJVKNKPZHTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c1-10-7-24-8-12(25-10)9-29-13-4-2-11(3-5-13)14-6-15(17(23)27)18(28)26-16(14)19(20,21)22/h2-8H,9H2,1H3,(H2,23,27)(H,26,28).
What are the key properties of 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).