N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide

C17H23N3O2 — CID 146075582

IUPACN-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1ccc(N2CCCCC2CCO)nc1
InChIInChI=1S/C17H23N3O2/c1-2-5-17(22)19-13-14-7-8-16(18-12-14)20-10-4-3-6-15(20)9-11-21/h7-8,12,15,21H,3-4,6,9-11,13H2,1H3,(H,19,22)
InChIKeyFXDZKXNFNRBJFI-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.46
Rot. Bonds5

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

N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide (PubChem CID 146075582) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide
PubChem CID146075582
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1ccc(N2CCCCC2CCO)nc1
InChIInChI=1S/C17H23N3O2/c1-2-5-17(22)19-13-14-7-8-16(18-12-14)20-10-4-3-6-15(20)9-11-21/h7-8,12,15,21H,3-4,6,9-11,13H2,1H3,(H,19,22)
InChIKeyFXDZKXNFNRBJFI-UHFFFAOYSA-N
XLogP1.46
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 51085213
N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97211768
1-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3-(4-nitrophenyl)urea
CID 51961769
3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47049399
2-[1-[5-(ethylamino)-2-pyridinyl]piperidin-2-yl]ethanol
CID 82104328
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide
CID 51961894
2-[1-[5-[[(3-nitro-2-pyridinyl)amino]methyl]-2-pyridinyl]piperidin-2-yl]ethanol
CID 47049237
[4-[[6-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methylamino]-3-nitrophenyl]-phenylmethanone
CID 51961110
[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
CID 80629858
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide?
The IUPAC name of N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide (CID 146075582) is N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide.
What is the SMILES notation for N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide?
The canonical SMILES for N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide is CC#CC(=O)NCc1ccc(N2CCCCC2CCO)nc1.
What is the InChIKey of N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide?
The InChIKey is FXDZKXNFNRBJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-5-17(22)19-13-14-7-8-16(18-12-14)20-10-4-3-6-15(20)9-11-21/h7-8,12,15,21H,3-4,6,9-11,13H2,1H3,(H,19,22).
What are the key properties of N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide?
N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide has a molecular weight of 301.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide is sourced from PubChem (CID 146075582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).