5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide

C15H22N4O — CID 109223965

IUPAC5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(N2CCN(CC)CC2)c1
InChIInChI=1S/C15H22N4O/c1-3-5-17-15(20)13-10-14(12-16-11-13)19-8-6-18(4-2)7-9-19/h3,10-12H,1,4-9H2,2H3,(H,17,20)
InChIKeyQGDGSECQGUSJJP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.14
Rot. Bonds5

About 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide

5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109223965) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109223965
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(N2CCN(CC)CC2)c1
InChIInChI=1S/C15H22N4O/c1-3-5-17-15(20)13-10-14(12-16-11-13)19-8-6-18(4-2)7-9-19/h3,10-12H,1,4-9H2,2H3,(H,17,20)
InChIKeyQGDGSECQGUSJJP-UHFFFAOYSA-N
XLogP1.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109229091
5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224744
N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109224016
5-(3-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109224030
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101872
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230591
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 109101767
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide (CID 109223965) is 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(N2CCN(CC)CC2)c1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is QGDGSECQGUSJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-5-17-15(20)13-10-14(12-16-11-13)19-8-6-18(4-2)7-9-19/h3,10-12H,1,4-9H2,2H3,(H,17,20).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide?
5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109223965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).