N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide

C22H24N6O2 — CID 158694746

IUPACN-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILESCCc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)n1
InChIInChI=1S/C22H24N6O2/c1-2-17-13-24-14-20(26-17)16-11-19(22(30)25-12-16)27-21(29)15-3-5-18(6-4-15)28-9-7-23-8-10-28/h3-6,11-14,23H,2,7-10H2,1H3,(H,25,30)(H,27,29)
InChIKeyIGUJTJMDOCOURD-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.06
Rot. Bonds5

About N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide

N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide (PubChem CID 158694746) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
PubChem CID158694746
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILESCCc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)n1
InChIInChI=1S/C22H24N6O2/c1-2-17-13-24-14-20(26-17)16-11-19(22(30)25-12-16)27-21(29)15-3-5-18(6-4-15)28-9-7-23-8-10-28/h3-6,11-14,23H,2,7-10H2,1H3,(H,25,30)(H,27,29)
InChIKeyIGUJTJMDOCOURD-UHFFFAOYSA-N
XLogP2.06
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158110780
N-[5-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 58692578
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261371
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692546
N-[5-(2-ethyl-6-methylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157077016
N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide
CID 159039079
N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261253
4-tert-butyl-N-[2-oxo-5-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyridin-3-yl]benzamide
CID 11510298
N-[5-(4-cyano-1,2-dihydropyridin-6-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261409
N-[2-oxo-5-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 58692574
N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261360

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The IUPAC name of N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide (CID 158694746) is N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide is CCc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)n1.
What is the InChIKey of N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The InChIKey is IGUJTJMDOCOURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-2-17-13-24-14-20(26-17)16-11-19(22(30)25-12-16)27-21(29)15-3-5-18(6-4-15)28-9-7-23-8-10-28/h3-6,11-14,23H,2,7-10H2,1H3,(H,25,30)(H,27,29).
What are the key properties of N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 158694746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).