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

C22H30N4O2 — CID 11417694

IUPAC8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1C
InChIInChI=1S/C22H30N4O2/c1-6-8-11-25(7-2)19-13-16(4)23-22-21(19)24-20(27)14-26(22)18-10-9-17(28-5)12-15(18)3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27)
InChIKeyLYSNALHFMZZUFA-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.42
Rot. Bonds7

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

8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 11417694) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID11417694
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1C
InChIInChI=1S/C22H30N4O2/c1-6-8-11-25(7-2)19-13-16(4)23-22-21(19)24-20(27)14-26(22)18-10-9-17(28-5)12-15(18)3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27)
InChIKeyLYSNALHFMZZUFA-UHFFFAOYSA-N
XLogP4.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 11417694) is 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1C.
What is the InChIKey of 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is LYSNALHFMZZUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-6-8-11-25(7-2)19-13-16(4)23-22-21(19)24-20(27)14-26(22)18-10-9-17(28-5)12-15(18)3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27).
What are the key properties of 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 382.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 11417694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).