N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide

C26H23N3O2 — CID 168957701

IUPACN-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1cc(C#Cc2ccccn2)cc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C26H23N3O2/c1-19-16-20(8-11-22-6-2-4-14-27-22)18-23(17-19)28-26(31)21-9-12-24(13-10-21)29-15-5-3-7-25(29)30/h2,4,6,9-10,12-14,16-18H,3,5,7,15H2,1H3,(H,28,31)
InChIKeyYYKRMVABVIXORF-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.56
Rot. Bonds3

About N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 168957701) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID168957701
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1cc(C#Cc2ccccn2)cc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C26H23N3O2/c1-19-16-20(8-11-22-6-2-4-14-27-22)18-23(17-19)28-26(31)21-9-12-24(13-10-21)29-15-5-3-7-25(29)30/h2,4,6,9-10,12-14,16-18H,3,5,7,15H2,1H3,(H,28,31)
InChIKeyYYKRMVABVIXORF-UHFFFAOYSA-N
XLogP4.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-hydroxy-2-oxopiperidin-1-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 168957716
4-(5,5-difluoro-2-oxopiperidin-1-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 168957732
N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 18108449
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N,N-dimethyl-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 51339093
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18225707
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 168957701) is N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide is Cc1cc(C#Cc2ccccn2)cc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is YYKRMVABVIXORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-19-16-20(8-11-22-6-2-4-14-27-22)18-23(17-19)28-26(31)21-9-12-24(13-10-21)29-15-5-3-7-25(29)30/h2,4,6,9-10,12-14,16-18H,3,5,7,15H2,1H3,(H,28,31).
What are the key properties of N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(2-pyridin-2-ylethynyl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 168957701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).