N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide

C13H20N4O2 — CID 166082465

IUPACN-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-19-9-6-15-13(18)12-3-2-11(10-16-12)17-7-4-14-5-8-17/h2-3,10,14H,4-9H2,1H3,(H,15,18)
InChIKeyIZNYQRAGVQHKPU-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.13
Rot. Bonds5

About N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide

N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 166082465) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID166082465
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-19-9-6-15-13(18)12-3-2-11(10-16-12)17-7-4-14-5-8-17/h2-3,10,14H,4-9H2,1H3,(H,15,18)
InChIKeyIZNYQRAGVQHKPU-UHFFFAOYSA-N
XLogP-0.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
N-[(2R)-1-hydroxypropan-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082435
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184245
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184262
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195506
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide (CID 166082465) is N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide is COCCNC(=O)c1ccc(N2CCNCC2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is IZNYQRAGVQHKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-9-6-15-13(18)12-3-2-11(10-16-12)17-7-4-14-5-8-17/h2-3,10,14H,4-9H2,1H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide?
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 166082465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).