N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide

C21H18N4O2 — CID 171983136

IUPACN-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide
SMILESO=C(NC1C(=O)NN(c2ccccc2)C1c1ccncc1)c1ccccc1
InChIInChI=1S/C21H18N4O2/c26-20(16-7-3-1-4-8-16)23-18-19(15-11-13-22-14-12-15)25(24-21(18)27)17-9-5-2-6-10-17/h1-14,18-19H,(H,23,26)(H,24,27)
InChIKeyFQTSSSNGCKMGCU-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.47
Rot. Bonds4

About N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide

N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide (PubChem CID 171983136) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide
PubChem CID171983136
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide
SMILESO=C(NC1C(=O)NN(c2ccccc2)C1c1ccncc1)c1ccccc1
InChIInChI=1S/C21H18N4O2/c26-20(16-7-3-1-4-8-16)23-18-19(15-11-13-22-14-12-15)25(24-21(18)27)17-9-5-2-6-10-17/h1-14,18-19H,(H,23,26)(H,24,27)
InChIKeyFQTSSSNGCKMGCU-UHFFFAOYSA-N
XLogP2.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
CID 753274
N-[(4S,5S)-3-methyl-6-oxo-1,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135926723
N-[(4S,5R)-3-methyl-6-oxo-1,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 136827078
N-[(4R,5R)-3-methyl-6-oxo-1,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 136827079
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
3-methyl-N-[(4S,5S)-3-methyl-6-oxo-1-phenyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 155559182
N-[4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135750287
N-[(4R,5R)-4-(3,5-dimethoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135926738
N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 4879158
N-[(3S,4R)-2-oxo-4-phenylpyrrolidin-1-id-3-yl]benzamide;yttrium
CID 169319293
N-[(4S,5R)-4-(3-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 136827082
N-[(4S,5S)-1,3-dimethyl-6-oxo-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 135689509

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide?
The IUPAC name of N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide (CID 171983136) is N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide.
What is the SMILES notation for N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide?
The canonical SMILES for N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide is O=C(NC1C(=O)NN(c2ccccc2)C1c1ccncc1)c1ccccc1.
What is the InChIKey of N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide?
The InChIKey is FQTSSSNGCKMGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20(16-7-3-1-4-8-16)23-18-19(15-11-13-22-14-12-15)25(24-21(18)27)17-9-5-2-6-10-17/h1-14,18-19H,(H,23,26)(H,24,27).
What are the key properties of N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide?
N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide has a molecular weight of 358.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1-phenyl-5-pyridin-4-ylpyrazolidin-4-yl)benzamide is sourced from PubChem (CID 171983136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).