N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H26N4O2 — CID 71866785

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCc1cc(CNC(=O)CCN2CCN(c3ccccn3)CC2)c(C)o1
InChIInChI=1S/C19H26N4O2/c1-15-13-17(16(2)25-15)14-21-19(24)6-8-22-9-11-23(12-10-22)18-5-3-4-7-20-18/h3-5,7,13H,6,8-12,14H2,1-2H3,(H,21,24)
InChIKeyKJGHXZFQWCPNLF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.12
Rot. Bonds6

About N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 71866785) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID71866785
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCc1cc(CNC(=O)CCN2CCN(c3ccccn3)CC2)c(C)o1
InChIInChI=1S/C19H26N4O2/c1-15-13-17(16(2)25-15)14-21-19(24)6-8-22-9-11-23(12-10-22)18-5-3-4-7-20-18/h3-5,7,13H,6,8-12,14H2,1-2H3,(H,21,24)
InChIKeyKJGHXZFQWCPNLF-UHFFFAOYSA-N
XLogP2.12
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide 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-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 71866785) is N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is Cc1cc(CNC(=O)CCN2CCN(c3ccccn3)CC2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is KJGHXZFQWCPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-13-17(16(2)25-15)14-21-19(24)6-8-22-9-11-23(12-10-22)18-5-3-4-7-20-18/h3-5,7,13H,6,8-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 71866785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).