2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide

C20H26N4O2 — CID 109166760

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-26-14-9-22-20(25)18-7-8-21-19(15-18)24-12-10-23(11-13-24)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,22,25)
InChIKeyJIDNNYOTMKTCPD-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.78
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide

2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 109166760) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID109166760
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-26-14-9-22-20(25)18-7-8-21-19(15-18)24-12-10-23(11-13-24)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,22,25)
InChIKeyJIDNNYOTMKTCPD-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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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Related Compounds

3-amino-4-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)benzamide
CID 100633265
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-benzylpiperazin-1-yl)pyridine-4-carboxamide
CID 70035935
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167023
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117086090
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 109166760) is 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide is COCCNC(=O)c1ccnc(N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is JIDNNYOTMKTCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-14-9-22-20(25)18-7-8-21-19(15-18)24-12-10-23(11-13-24)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide?
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109166760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).