N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide

C22H29N5O — CID 10452320

IUPACN-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
SMILESN#Cc1cccnc1N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28)
InChIKeyLTTIAASWMSZBDG-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.02
Rot. Bonds4

About N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide

N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 10452320) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
PubChem CID10452320
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
SMILESN#Cc1cccnc1N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28)
InChIKeyLTTIAASWMSZBDG-UHFFFAOYSA-N
XLogP2.02
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide (CID 10452320) is N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide is N#Cc1cccnc1N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is LTTIAASWMSZBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28).
What are the key properties of N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 10452320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).