2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide

C21H24N4O4 — CID 50794209

IUPAC2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)C(CC)n1c(=O)c(OCC)nc2cccnc21
InChIInChI=1S/C21H24N4O4/c1-4-16(19(26)23-14-10-7-8-12-17(14)28-5-2)25-18-15(11-9-13-22-18)24-20(21(25)27)29-6-3/h7-13,16H,4-6H2,1-3H3,(H,23,26)
InChIKeyMANVEBIYZHOCMK-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.18
Rot. Bonds8

About 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide

2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide (PubChem CID 50794209) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide
PubChem CID50794209
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)C(CC)n1c(=O)c(OCC)nc2cccnc21
InChIInChI=1S/C21H24N4O4/c1-4-16(19(26)23-14-10-7-8-12-17(14)28-5-2)25-18-15(11-9-13-22-18)24-20(21(25)27)29-6-3/h7-13,16H,4-6H2,1-3H3,(H,23,26)
InChIKeyMANVEBIYZHOCMK-UHFFFAOYSA-N
XLogP3.18
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
CID 46343992
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46343993
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)butanamide
CID 46301214
(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
CID 92735258
(2S)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 8727091
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 8727103
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
ethyl 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)acetate
CID 82017351
(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide
CID 92716649
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-ethoxypyridine-3-carboxylate
CID 4004793
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46674723

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide?
The IUPAC name of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide (CID 50794209) is 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide.
What is the SMILES notation for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide?
The canonical SMILES for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide is CCOc1ccccc1NC(=O)C(CC)n1c(=O)c(OCC)nc2cccnc21.
What is the InChIKey of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide?
The InChIKey is MANVEBIYZHOCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-16(19(26)23-14-10-7-8-12-17(14)28-5-2)25-18-15(11-9-13-22-18)24-20(21(25)27)29-6-3/h7-13,16H,4-6H2,1-3H3,(H,23,26).
What are the key properties of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide?
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide has a molecular weight of 396.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-ethoxyphenyl)butanamide is sourced from PubChem (CID 50794209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).