2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C17H18N4O3 — CID 170568742

IUPAC2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCCC(C)C1C(=O)Nc2cnccc2N1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H18N4O3/c1-3-10(2)15-16(23)20-12-9-18-7-6-13(12)21(15)17(24)11-4-5-14(22)19-8-11/h4-10,15H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyOCBODSXDXOLWJU-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.78
Rot. Bonds3

About 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 170568742) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID170568742
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCCC(C)C1C(=O)Nc2cnccc2N1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H18N4O3/c1-3-10(2)15-16(23)20-12-9-18-7-6-13(12)21(15)17(24)11-4-5-14(22)19-8-11/h4-10,15H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyOCBODSXDXOLWJU-UHFFFAOYSA-N
XLogP1.78
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one with MolForge

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Related Compounds

2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 170319971
3-butan-2-yl-4-(1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170320096
3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
CID 170319947
2-butan-2-yl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
CID 79291259
(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 177274222
2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 79295856
N-(4-aminocyclohexyl)-2-butan-2-yl-1-(3-methylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23738063
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
3-[(3S)-3-[(2S)-butan-2-yl]-2-oxo-3,5-dihydro-1H-pyrido[3,4-e][1,4]diazepin-4-yl]-4-(3-hydroxyazetidin-1-yl)cyclobut-3-ene-1,2-dione
CID 163292575
N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23903118
3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97261802
4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
CID 170568760

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 170568742) is 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is CCC(C)C1C(=O)Nc2cnccc2N1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is OCBODSXDXOLWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-10(2)15-16(23)20-12-9-18-7-6-13(12)21(15)17(24)11-4-5-14(22)19-8-11/h4-10,15H,3H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 326.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(6-oxo-1H-pyridine-3-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 170568742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).