5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide

C20H18F2N4O3 — CID 90415233

IUPAC5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1ncc(Cc2ccc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C20H18F2N4O3/c1-2-28-19-17(13-4-3-5-15(9-13)29-20(21)22)26-14(11-25-19)8-12-6-7-16(18(23)27)24-10-12/h3-7,9-11,20H,2,8H2,1H3,(H2,23,27)
InChIKeyRDBLVGMTJOIWMZ-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.23
Rot. Bonds8

About 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide

5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 90415233) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide
PubChem CID90415233
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1ncc(Cc2ccc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C20H18F2N4O3/c1-2-28-19-17(13-4-3-5-15(9-13)29-20(21)22)26-14(11-25-19)8-12-6-7-16(18(23)27)24-10-12/h3-7,9-11,20H,2,8H2,1H3,(H2,23,27)
InChIKeyRDBLVGMTJOIWMZ-UHFFFAOYSA-N
XLogP3.23
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide (CID 90415233) is 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide is CCOc1ncc(Cc2ccc(C(N)=O)nc2)nc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is RDBLVGMTJOIWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-2-28-19-17(13-4-3-5-15(9-13)29-20(21)22)26-14(11-25-19)8-12-6-7-16(18(23)27)24-10-12/h3-7,9-11,20H,2,8H2,1H3,(H2,23,27).
What are the key properties of 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide?
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 90415233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).