2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C19H17F3N4O3 — CID 46343993

IUPAC2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCOc1nc2cccnc2n(C(C)C(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C19H17F3N4O3/c1-3-29-17-18(28)26(15-14(25-17)9-6-10-23-15)11(2)16(27)24-13-8-5-4-7-12(13)19(20,21)22/h4-11H,3H2,1-2H3,(H,24,27)
InChIKeyHHYGWPKFWHCLSH-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.41
Rot. Bonds5

About 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 46343993) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID46343993
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCOc1nc2cccnc2n(C(C)C(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C19H17F3N4O3/c1-3-29-17-18(28)26(15-14(25-17)9-6-10-23-15)11(2)16(27)24-13-8-5-4-7-12(13)19(20,21)22/h4-11H,3H2,1-2H3,(H,24,27)
InChIKeyHHYGWPKFWHCLSH-UHFFFAOYSA-N
XLogP3.41
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide
CID 50794209
2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
CID 46343992
1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 122304590
2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20916126
N-(2-ethoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 47177158
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
1-ethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 7619878
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9430320
ethyl 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)acetate
CID 82017351
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
CID 79295243
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 46343993) is 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is CCOc1nc2cccnc2n(C(C)C(=O)Nc2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HHYGWPKFWHCLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-3-29-17-18(28)26(15-14(25-17)9-6-10-23-15)11(2)16(27)24-13-8-5-4-7-12(13)19(20,21)22/h4-11H,3H2,1-2H3,(H,24,27).
What are the key properties of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 406.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 46343993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).