2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide

C16H18N4O — CID 73023341

IUPAC2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide
SMILESO=C(Cc1ccccc1)NC1CC(c2ccncc2)NN1
InChIInChI=1S/C16H18N4O/c21-16(10-12-4-2-1-3-5-12)18-15-11-14(19-20-15)13-6-8-17-9-7-13/h1-9,14-15,19-20H,10-11H2,(H,18,21)
InChIKeyQEWPMONJHDUOGV-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.31
Rot. Bonds4

About 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide

2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide (PubChem CID 73023341) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide
PubChem CID73023341
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide
SMILESO=C(Cc1ccccc1)NC1CC(c2ccncc2)NN1
InChIInChI=1S/C16H18N4O/c21-16(10-12-4-2-1-3-5-12)18-15-11-14(19-20-15)13-6-8-17-9-7-13/h1-9,14-15,19-20H,10-11H2,(H,18,21)
InChIKeyQEWPMONJHDUOGV-UHFFFAOYSA-N
XLogP1.31
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide?
The IUPAC name of 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide (CID 73023341) is 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide is O=C(Cc1ccccc1)NC1CC(c2ccncc2)NN1.
What is the InChIKey of 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide?
The InChIKey is QEWPMONJHDUOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(10-12-4-2-1-3-5-12)18-15-11-14(19-20-15)13-6-8-17-9-7-13/h1-9,14-15,19-20H,10-11H2,(H,18,21).
What are the key properties of 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide?
2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide has a molecular weight of 282.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide is sourced from PubChem (CID 73023341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).