4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide

C18H20N4O2S — CID 53189895

IUPAC4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NCCc2cccs2)nc2cccnc21
InChIInChI=1S/C18H20N4O2S/c1-12(2)11-22-16-14(6-3-8-19-16)21-15(18(22)24)17(23)20-9-7-13-5-4-10-25-13/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,20,23)
InChIKeyGBQGICFQLYXPMH-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.48
Rot. Bonds6

About 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide

4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 53189895) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID53189895
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NCCc2cccs2)nc2cccnc21
InChIInChI=1S/C18H20N4O2S/c1-12(2)11-22-16-14(6-3-8-19-16)21-15(18(22)24)17(23)20-9-7-13-5-4-10-25-13/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,20,23)
InChIKeyGBQGICFQLYXPMH-UHFFFAOYSA-N
XLogP2.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 53189854
N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189896
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797046
N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189852
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
2-methoxy-N-[2-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]benzamide
CID 50843507
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84684642
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459215
3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 20867618
N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189744
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-3-carboxamide
CID 53143755

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide (CID 53189895) is 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide is CC(C)Cn1c(=O)c(C(=O)NCCc2cccs2)nc2cccnc21.
What is the InChIKey of 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is GBQGICFQLYXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12(2)11-22-16-14(6-3-8-19-16)21-15(18(22)24)17(23)20-9-7-13-5-4-10-25-13/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,20,23).
What are the key properties of 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide?
4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 53189895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).