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

C21H22N6O2 — CID 90261371

IUPACN-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1
InChIInChI=1S/C21H22N6O2/c22-19-13-23-12-18(25-19)15-10-17(21(29)24-11-15)26-20(28)14-4-6-16(7-5-14)27-8-2-1-3-9-27/h4-7,10-13H,1-3,8-9H2,(H2,22,25)(H,24,29)(H,26,28)
InChIKeyXLWOWKJZLBJPEJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.66
Rot. Bonds4

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

N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 90261371) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID90261371
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1
InChIInChI=1S/C21H22N6O2/c22-19-13-23-12-18(25-19)15-10-17(21(29)24-11-15)26-20(28)14-4-6-16(7-5-14)27-8-2-1-3-9-27/h4-7,10-13H,1-3,8-9H2,(H2,22,25)(H,24,29)(H,26,28)
InChIKeyXLWOWKJZLBJPEJ-UHFFFAOYSA-N
XLogP2.66
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261390
N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158694746
N-[5-(2-ethyl-6-methylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157077016
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-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261405
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
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-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261253
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 58692637
N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261369

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 90261371) is N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is Nc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.
What is the InChIKey of N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is XLWOWKJZLBJPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-19-13-23-12-18(25-19)15-10-17(21(29)24-11-15)26-20(28)14-4-6-16(7-5-14)27-8-2-1-3-9-27/h4-7,10-13H,1-3,8-9H2,(H2,22,25)(H,24,29)(H,26,28).
What are the key properties of N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 390.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 90261371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).