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

C20H26N4O2 — CID 110284669

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
InChIInChI=1S/C20H26N4O2/c1-26-19-6-3-2-5-18(19)24-15-13-23(14-16-24)12-4-9-22-20(25)17-7-10-21-11-8-17/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
InChIKeyQCYAVOCONNKJOU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.03
Rot. Bonds7

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

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide (PubChem CID 110284669) 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-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
PubChem CID110284669
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
InChIInChI=1S/C20H26N4O2/c1-26-19-6-3-2-5-18(19)24-15-13-23(14-16-24)12-4-9-22-20(25)17-7-10-21-11-8-17/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
InChIKeyQCYAVOCONNKJOU-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide (CID 110284669) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
The InChIKey is QCYAVOCONNKJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-19-6-3-2-5-18(19)24-15-13-23(14-16-24)12-4-9-22-20(25)17-7-10-21-11-8-17/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 110284669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).