N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide

C26H23N7O3 — CID 166325112

IUPACN'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide
SMILESCc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC2CCCN(c3ccc(C#N)cc3)C2=O)c1C
InChIInChI=1S/C26H23N7O3/c1-16-17(2)31-33(21-11-7-19(15-28)8-12-21)23(16)30-25(35)24(34)29-22-4-3-13-32(26(22)36)20-9-5-18(14-27)6-10-20/h5-12,22H,3-4,13H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyMUQMBDMZLONIEV-UHFFFAOYSA-N
MW481.52 g/mol
LogP2.48
Rot. Bonds4

About N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide

N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide (PubChem CID 166325112) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide
PubChem CID166325112
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC NameN'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide
SMILESCc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC2CCCN(c3ccc(C#N)cc3)C2=O)c1C
InChIInChI=1S/C26H23N7O3/c1-16-17(2)31-33(21-11-7-19(15-28)8-12-21)23(16)30-25(35)24(34)29-22-4-3-13-32(26(22)36)20-9-5-18(14-27)6-10-20/h5-12,22H,3-4,13H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyMUQMBDMZLONIEV-UHFFFAOYSA-N
XLogP2.48
TPSA143.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]carbamoyl-methylamino]propanoic acid
CID 122009523
N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide
CID 154750302
N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 99703950
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
3-[[[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]amino]methyl]benzoic acid
CID 122032701
ethyl 3-[[(3S)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]butanoate
CID 70083534
4-[3-[(3-cyclopropyl-3-methoxybutan-2-yl)amino]-2-oxopiperidin-1-yl]benzonitrile
CID 167958959
4-[(3R)-3-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylamino]-2-oxopiperidin-1-yl]benzonitrile
CID 129476837
4-[(3S)-3-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methylamino]-2-oxopiperidin-1-yl]benzonitrile
CID 129476839
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
CID 119336564

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide?
The IUPAC name of N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide (CID 166325112) is N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide.
What is the SMILES notation for N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide?
The canonical SMILES for N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide is Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC2CCCN(c3ccc(C#N)cc3)C2=O)c1C.
What is the InChIKey of N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide?
The InChIKey is MUQMBDMZLONIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-16-17(2)31-33(21-11-7-19(15-28)8-12-21)23(16)30-25(35)24(34)29-22-4-3-13-32(26(22)36)20-9-5-18(14-27)6-10-20/h5-12,22H,3-4,13H2,1-2H3,(H,29,34)(H,30,35).
What are the key properties of N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide?
N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide has a molecular weight of 481.52 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-N-[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]oxamide is sourced from PubChem (CID 166325112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).