8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C21H29N5O3 — CID 10363553

IUPAC8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)nc1OC
InChIInChI=1S/C21H29N5O3/c1-6-8-11-25(7-2)16-12-14(3)22-20-19(16)23-17(27)13-26(20)15-9-10-18(28-4)24-21(15)29-5/h9-10,12H,6-8,11,13H2,1-5H3,(H,23,27)
InChIKeyHVEZDGRGPISTDT-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.52
Rot. Bonds8

About 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 10363553) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID10363553
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)nc1OC
InChIInChI=1S/C21H29N5O3/c1-6-8-11-25(7-2)16-12-14(3)22-20-19(16)23-17(27)13-26(20)15-9-10-18(28-4)24-21(15)29-5/h9-10,12H,6-8,11,13H2,1-5H3,(H,23,27)
InChIKeyHVEZDGRGPISTDT-UHFFFAOYSA-N
XLogP3.52
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
N-butyl-4-(2,6-dimethoxypyridin-3-yl)-N-ethyl-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-8-amine
CID 24768332
4-[Butyl(ethyl)amino]-8-(2,6-dimethoxypyridin-3-yl)-2-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 24768333
N-butyl-8-(2,6-dimethoxypyridin-3-yl)-N-ethyl-2-methyl-5,6,7,8-tetrahydropteridin-4-amine
CID 24768334
8-[Butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 11181032
1-[4-(3-Amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 47003077
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CID 137931039
N-(2-Methoxyphenyl)-3-(piperidin-1-YL)quinoxaline-2-carboxamide
CID 46249398
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]acetamide
CID 52845163
2-[(6-Methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 56788787
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CID 169225231
N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
CID 13118150

Frequently Asked Questions

What is the IUPAC name of 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 10363553) is 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)nc1OC.
What is the InChIKey of 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is HVEZDGRGPISTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-6-8-11-25(7-2)16-12-14(3)22-20-19(16)23-17(27)13-26(20)15-9-10-18(28-4)24-21(15)29-5/h9-10,12H,6-8,11,13H2,1-5H3,(H,23,27).
What are the key properties of 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 399.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[butyl(ethyl)amino]-4-(2,6-dimethoxy-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 10363553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).