N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide

C24H25N5O2 — CID 58930570

IUPACN-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C24H25N5O2/c25-20-5-1-2-6-21(20)27-24(31)19-10-8-18(9-11-19)17-23(30)29-15-13-28(14-16-29)22-7-3-4-12-26-22/h1-12H,13-17,25H2,(H,27,31)
InChIKeyKTYYZJMZQSVGNR-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.81
Rot. Bonds5

About N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide

N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 58930570) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID58930570
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C24H25N5O2/c25-20-5-1-2-6-21(20)27-24(31)19-10-8-18(9-11-19)17-23(30)29-15-13-28(14-16-29)22-7-3-4-12-26-22/h1-12H,13-17,25H2,(H,27,31)
InChIKeyKTYYZJMZQSVGNR-UHFFFAOYSA-N
XLogP2.81
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 119870745
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
N-methyl-4-[[methyl-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]methyl]benzamide
CID 9125636
N-(2-aminophenyl)-4-[2-[4-[1-(1,3-dioxol-4-yl)-2-phenylethyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 91440296
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 134006342
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 110772125
N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide
CID 55647098
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 58930570) is N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is KTYYZJMZQSVGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-20-5-1-2-6-21(20)27-24(31)19-10-8-18(9-11-19)17-23(30)29-15-13-28(14-16-29)22-7-3-4-12-26-22/h1-12H,13-17,25H2,(H,27,31).
What are the key properties of N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 58930570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).