N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide

C16H22N4O — CID 146083518

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1ccc(N2CCN(CC)CC2)nc1
InChIInChI=1S/C16H22N4O/c1-3-5-16(21)18-13-14-6-7-15(17-12-14)20-10-8-19(4-2)9-11-20/h6-7,12H,4,8-11,13H2,1-2H3,(H,18,21)
InChIKeyOSAPGFSBWOXVLV-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.86
Rot. Bonds4

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide (PubChem CID 146083518) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
PubChem CID146083518
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1ccc(N2CCN(CC)CC2)nc1
InChIInChI=1S/C16H22N4O/c1-3-5-16(21)18-13-14-6-7-15(17-12-14)20-10-8-19(4-2)9-11-20/h6-7,12H,4,8-11,13H2,1-2H3,(H,18,21)
InChIKeyOSAPGFSBWOXVLV-UHFFFAOYSA-N
XLogP0.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea
CID 86870917
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150
3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55744205
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
CID 86864363
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
(3S)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylmorpholine-4-carboxamide
CID 94030908
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232712
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154644

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide (CID 146083518) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide is CC#CC(=O)NCc1ccc(N2CCN(CC)CC2)nc1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide?
The InChIKey is OSAPGFSBWOXVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-5-16(21)18-13-14-6-7-15(17-12-14)20-10-8-19(4-2)9-11-20/h6-7,12H,4,8-11,13H2,1-2H3,(H,18,21).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide has a molecular weight of 286.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide is sourced from PubChem (CID 146083518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).