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

C23H22F4N4O3 — CID 71454678

IUPACN-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
SMILESCOc1cnc(-c2c(C)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1
InChIInChI=1S/C23H22F4N4O3/c1-14-3-6-18(24)17(21(14)19-10-31-20(33-2)11-30-19)7-8-28-22(32)15-4-5-16(29-9-15)12-34-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
InChIKeyZBFHVTYUERGXHJ-UHFFFAOYSA-N
MW478.45 g/mol
LogP4.05
Rot. Bonds9

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

N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide (PubChem CID 71454678) has the molecular formula C23H22F4N4O3 and a molecular weight of 478.45 g/mol. Its IUPAC name is N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
PubChem CID71454678
Molecular FormulaC23H22F4N4O3
Molecular Weight478.45 g/mol
Exact Mass478.16
IUPAC NameN-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
SMILESCOc1cnc(-c2c(C)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1
InChIInChI=1S/C23H22F4N4O3/c1-14-3-6-18(24)17(21(14)19-10-31-20(33-2)11-30-19)7-8-28-22(32)15-4-5-16(29-9-15)12-34-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
InChIKeyZBFHVTYUERGXHJ-UHFFFAOYSA-N
XLogP4.05
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[6-fluoro-2-(2-methoxypyrimidin-5-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71456413
N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71452900
N-[2-(2-methoxy-5-methylphenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24607141
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932
N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30094922
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46603471
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide (CID 71454678) is N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide is COc1cnc(-c2c(C)ccc(F)c2CCNC(=O)c2ccc(COCC(F)(F)F)nc2)cn1.
What is the InChIKey of N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide?
The InChIKey is ZBFHVTYUERGXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O3/c1-14-3-6-18(24)17(21(14)19-10-31-20(33-2)11-30-19)7-8-28-22(32)15-4-5-16(29-9-15)12-34-13-23(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-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide?
N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide has a molecular weight of 478.45 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71454678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).