2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide

C22H30N4O2 — CID 55620653

IUPAC2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C22H30N4O2/c1-3-28-22-19(11-7-12-24-22)21(27)23-13-8-14-26-16-15-25(2)17-20(26)18-9-5-4-6-10-18/h4-7,9-12,20H,3,8,13-17H2,1-2H3,(H,23,27)
InChIKeyCUUFVVMSEUWUGJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.59
Rot. Bonds8

About 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide

2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 55620653) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID55620653
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C22H30N4O2/c1-3-28-22-19(11-7-12-24-22)21(27)23-13-8-14-26-16-15-25(2)17-20(26)18-9-5-4-6-10-18/h4-7,9-12,20H,3,8,13-17H2,1-2H3,(H,23,27)
InChIKeyCUUFVVMSEUWUGJ-UHFFFAOYSA-N
XLogP2.59
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.59
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

N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55620577
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99844784
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
CID 55620797
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 51116547
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
2-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 47028501
2-methyl-1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904659

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide (CID 55620653) is 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCCCN1CCN(C)CC1c1ccccc1.
What is the InChIKey of 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is CUUFVVMSEUWUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-28-22-19(11-7-12-24-22)21(27)23-13-8-14-26-16-15-25(2)17-20(26)18-9-5-4-6-10-18/h4-7,9-12,20H,3,8,13-17H2,1-2H3,(H,23,27).
What are the key properties of 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 55620653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).