2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide

C23H32N4O2 — CID 86968073

IUPAC2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C23H32N4O2/c1-3-29-22-18-20(9-11-24-22)23(28)25-10-4-5-12-26-13-15-27(16-14-26)21-8-6-7-19(2)17-21/h6-9,11,17-18H,3-5,10,12-16H2,1-2H3,(H,25,28)
InChIKeyMLZLLCBKDWCXGI-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.12
Rot. Bonds9

About 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide

2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide (PubChem CID 86968073) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide
PubChem CID86968073
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C23H32N4O2/c1-3-29-22-18-20(9-11-24-22)23(28)25-10-4-5-12-26-13-15-27(16-14-26)21-8-6-7-19(2)17-21/h6-9,11,17-18H,3-5,10,12-16H2,1-2H3,(H,25,28)
InChIKeyMLZLLCBKDWCXGI-UHFFFAOYSA-N
XLogP3.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.12
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

2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704
methyl 5-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]pyridine-2-carboxylate
CID 112822713
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 38440983
2-ethoxy-N-[2-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 86967702
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
tert-butyl N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate
CID 34249305
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624572
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide (CID 86968073) is 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide is CCOc1cc(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)ccn1.
What is the InChIKey of 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide?
The InChIKey is MLZLLCBKDWCXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-29-22-18-20(9-11-24-22)23(28)25-10-4-5-12-26-13-15-27(16-14-26)21-8-6-7-19(2)17-21/h6-9,11,17-18H,3-5,10,12-16H2,1-2H3,(H,25,28).
What are the key properties of 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide?
2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide is sourced from PubChem (CID 86968073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).