N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide

C21H21N5O2 — CID 58692652

IUPACN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C21H21N5O2/c27-20(16-1-3-18(4-2-16)26-11-9-23-10-12-26)25-19-13-17(14-24-21(19)28)15-5-7-22-8-6-15/h1-8,13-14,23H,9-12H2,(H,24,28)(H,25,27)
InChIKeyHHLUPUYMCZKUEX-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.10
Rot. Bonds4

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

N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide (PubChem CID 58692652) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
PubChem CID58692652
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C21H21N5O2/c27-20(16-1-3-18(4-2-16)26-11-9-23-10-12-26)25-19-13-17(14-24-21(19)28)15-5-7-22-8-6-15/h1-8,13-14,23H,9-12H2,(H,24,28)(H,25,27)
InChIKeyHHLUPUYMCZKUEX-UHFFFAOYSA-N
XLogP2.10
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261253
N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158694746
4-cyano-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 11536964
N-[5-(4-cyano-1,2-dihydropyridin-6-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261409
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
4-tert-butyl-N-[2-oxo-5-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyridin-3-yl]benzamide
CID 11510298
N-[5-(6-aminopyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261371
4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692567
4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid
CID 117074156
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

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide?
The IUPAC name of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide (CID 58692652) is N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide?
The InChIKey is HHLUPUYMCZKUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(16-1-3-18(4-2-16)26-11-9-23-10-12-26)25-19-13-17(14-24-21(19)28)15-5-7-22-8-6-15/h1-8,13-14,23H,9-12H2,(H,24,28)(H,25,27).
What are the key properties of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide?
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 58692652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).