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

C22H22N4O2 — CID 52936434

IUPACN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
InChIKeyABBVAIMDGQMDHS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.68
Rot. Bonds4

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

N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide (PubChem CID 52936434) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide
PubChem CID52936434
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
InChIKeyABBVAIMDGQMDHS-UHFFFAOYSA-N
XLogP3.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide?
The IUPAC name of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide (CID 52936434) is N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide?
The InChIKey is ABBVAIMDGQMDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27).
What are the key properties of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide?
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 52936434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).