N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide

C20H26N4O2 — CID 141363469

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
InChIInChI=1S/C20H26N4O2/c1-26-19-9-3-2-8-18(19)24-15-13-23(14-16-24)12-6-11-22-20(25)17-7-4-5-10-21-17/h2-5,7-10H,6,11-16H2,1H3,(H,22,25)
InChIKeyDAQWHPXILJVVKZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.03
Rot. Bonds7

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide (PubChem CID 141363469) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
PubChem CID141363469
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
InChIInChI=1S/C20H26N4O2/c1-26-19-9-3-2-8-18(19)24-15-13-23(14-16-24)12-6-11-22-20(25)17-7-4-5-10-21-17/h2-5,7-10H,6,11-16H2,1H3,(H,22,25)
InChIKeyDAQWHPXILJVVKZ-UHFFFAOYSA-N
XLogP2.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide 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-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide (CID 141363469) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide?
The InChIKey is DAQWHPXILJVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-19-9-3-2-8-18(19)24-15-13-23(14-16-24)12-6-11-22-20(25)17-7-4-5-10-21-17/h2-5,7-10H,6,11-16H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 141363469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).