N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide

C23H38N4O2S — CID 45225771

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CSc1ccncc1
InChIInChI=1S/C23H38N4O2S/c1-3-26-12-4-5-21(26)18-27(23(28)19-30-22-6-10-24-11-7-22)17-20-8-13-25(14-9-20)15-16-29-2/h6-7,10-11,20-21H,3-5,8-9,12-19H2,1-2H3
InChIKeyUHPIRAGUTBXUOG-UHFFFAOYSA-N
MW434.65 g/mol
LogP2.85
Rot. Bonds11

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 45225771) has the molecular formula C23H38N4O2S and a molecular weight of 434.65 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID45225771
Molecular FormulaC23H38N4O2S
Molecular Weight434.65 g/mol
Exact Mass434.27
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CSc1ccncc1
InChIInChI=1S/C23H38N4O2S/c1-3-26-12-4-5-21(26)18-27(23(28)19-30-22-6-10-24-11-7-22)17-20-8-13-25(14-9-20)15-16-29-2/h6-7,10-11,20-21H,3-5,8-9,12-19H2,1-2H3
InChIKeyUHPIRAGUTBXUOG-UHFFFAOYSA-N
XLogP2.85
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.65
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide (CID 45225771) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CSc1ccncc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is UHPIRAGUTBXUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2S/c1-3-26-12-4-5-21(26)18-27(23(28)19-30-22-6-10-24-11-7-22)17-20-8-13-25(14-9-20)15-16-29-2/h6-7,10-11,20-21H,3-5,8-9,12-19H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 434.65 g/mol, XLogP of 2.85, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 45225771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).