N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide

C23H22F4N4O4 — CID 71458259

IUPACN-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
SMILESCOc1cnc(-c2c(OC)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1
InChIInChI=1S/C23H22F4N4O4/c1-33-19-6-5-17(24)16(21(19)18-10-31-20(34-2)11-30-18)7-8-28-22(32)14-3-4-15(29-9-14)12-35-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
InChIKeyDBLGDVQGUGDNDJ-UHFFFAOYSA-N
MW494.45 g/mol
LogP3.75
Rot. Bonds10

About N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide

N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide (PubChem CID 71458259) has the molecular formula C23H22F4N4O4 and a molecular weight of 494.45 g/mol. Its IUPAC name is N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
PubChem CID71458259
Molecular FormulaC23H22F4N4O4
Molecular Weight494.45 g/mol
Exact Mass494.16
IUPAC NameN-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
SMILESCOc1cnc(-c2c(OC)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1
InChIInChI=1S/C23H22F4N4O4/c1-33-19-6-5-17(24)16(21(19)18-10-31-20(34-2)11-30-18)7-8-28-22(32)14-3-4-15(29-9-14)12-35-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
InChIKeyDBLGDVQGUGDNDJ-UHFFFAOYSA-N
XLogP3.75
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide (CID 71458259) is N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide is COc1cnc(-c2c(OC)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1.
What is the InChIKey of N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide?
The InChIKey is DBLGDVQGUGDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O4/c1-33-19-6-5-17(24)16(21(19)18-10-31-20(34-2)11-30-18)7-8-28-22(32)14-3-4-15(29-9-14)12-35-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide?
N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide has a molecular weight of 494.45 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-fluoro-3-methoxy-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71458259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).