2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C16H21N5O — CID 119059529

IUPAC2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc(C2CCCNC2)n1)NCc1ccccn1
InChIInChI=1S/C16H21N5O/c22-16(19-11-14-5-1-2-8-18-14)12-21-9-6-15(20-21)13-4-3-7-17-10-13/h1-2,5-6,8-9,13,17H,3-4,7,10-12H2,(H,19,22)
InChIKeyKNNOWCCMWCRDGL-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.06
Rot. Bonds5

About 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 119059529) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID119059529
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc(C2CCCNC2)n1)NCc1ccccn1
InChIInChI=1S/C16H21N5O/c22-16(19-11-14-5-1-2-8-18-14)12-21-9-6-15(20-21)13-4-3-7-17-10-13/h1-2,5-6,8-9,13,17H,3-4,7,10-12H2,(H,19,22)
InChIKeyKNNOWCCMWCRDGL-UHFFFAOYSA-N
XLogP1.06
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 119059529) is 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1ccc(C2CCCNC2)n1)NCc1ccccn1.
What is the InChIKey of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KNNOWCCMWCRDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-16(19-11-14-5-1-2-8-18-14)12-21-9-6-15(20-21)13-4-3-7-17-10-13/h1-2,5-6,8-9,13,17H,3-4,7,10-12H2,(H,19,22).
What are the key properties of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 299.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 119059529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).