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

C23H30N4O2 — CID 24768343

IUPAC4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)=O)cc1C
InChIInChI=1S/C23H30N4O2/c1-6-8-11-26(7-2)20-13-16(4)24-23-22(20)25-21(29)14-27(23)19-10-9-18(17(5)28)12-15(19)3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,25,29)
InChIKeyAITIQURMMRAPNX-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.62
Rot. Bonds7

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

4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 24768343) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID24768343
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)=O)cc1C
InChIInChI=1S/C23H30N4O2/c1-6-8-11-26(7-2)20-13-16(4)24-23-22(20)25-21(29)14-27(23)19-10-9-18(17(5)28)12-15(19)3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,25,29)
InChIKeyAITIQURMMRAPNX-UHFFFAOYSA-N
XLogP4.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
1-[4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]phenyl]ethanone
CID 457770
4-{8-[butyl(ethyl)amino]-6-methyl-2-oxo-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylbenzonitrile
CID 24768339
1-(4-{8-[butyl(ethyl)amino]-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylphenyl)ethan-1-one
CID 24768344
4-[Butyl(ethyl)amino]-8-(4-acetyl-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 24768345
1-(4-{4-[Butyl(ethyl)amino]-2-methyl-5,6,7,8-tetrahydropteridin-8-yl}-3-methylphenyl)ethan-1-one
CID 24768346
4-amino-2,6-dimethyl-N-(6-methylpyridin-3-yl)quinazoline-8-carboxamide
CID 53326214
2-(4-Methyl-4-oxy-piperazin-1-yl)-5H-benzo[c][1,5]naphthyridin-6-one
CID 10979819
3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylamino)pyridin-2-yl)-(1H)-pyridin-2-one
CID 11611103
3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cyclopropylamino)pyridin-2-yl)-(1H)-pyridin-2-one
CID 11718919
11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14590403
8-[Butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 46872036

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 24768343) is 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)=O)cc1C.
What is the InChIKey of 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is AITIQURMMRAPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-6-8-11-26(7-2)20-13-16(4)24-23-22(20)25-21(29)14-27(23)19-10-9-18(17(5)28)12-15(19)3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,25,29).
What are the key properties of 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 394.52 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 24768343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).