N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H19N5O — CID 716676

IUPACN-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19N5O/c19-13-15-5-1-2-6-16(15)21-18(24)14-22-9-11-23(12-10-22)17-7-3-4-8-20-17/h1-8H,9-12,14H2,(H,21,24)
InChIKeyAOTLSYHIAFULIU-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.71
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 716676) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID716676
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19N5O/c19-13-15-5-1-2-6-16(15)21-18(24)14-22-9-11-23(12-10-22)17-7-3-4-8-20-17/h1-8H,9-12,14H2,(H,21,24)
InChIKeyAOTLSYHIAFULIU-UHFFFAOYSA-N
XLogP1.71
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 716676) is N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is N#Cc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is AOTLSYHIAFULIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-13-15-5-1-2-6-16(15)21-18(24)14-22-9-11-23(12-10-22)17-7-3-4-8-20-17/h1-8H,9-12,14H2,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 716676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).