N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C18H23N5O — CID 3070507

IUPACN-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H23N5O/c19-15-5-1-2-6-16(15)21-18(24)8-10-22-11-13-23(14-12-22)17-7-3-4-9-20-17/h1-7,9H,8,10-14,19H2,(H,21,24)
InChIKeyWTRZHMOEKZFPLO-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.81
Rot. Bonds5

About N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 3070507) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID3070507
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H23N5O/c19-15-5-1-2-6-16(15)21-18(24)8-10-22-11-13-23(14-12-22)17-7-3-4-9-20-17/h1-7,9H,8,10-14,19H2,(H,21,24)
InChIKeyWTRZHMOEKZFPLO-UHFFFAOYSA-N
XLogP1.81
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 3070507) is N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is Nc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is WTRZHMOEKZFPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-15-5-1-2-6-16(15)21-18(24)8-10-22-11-13-23(14-12-22)17-7-3-4-9-20-17/h1-7,9H,8,10-14,19H2,(H,21,24).
What are the key properties of N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 325.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3070507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).