1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one

C16H22N2O2S — CID 53191757

IUPAC1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one
SMILESCCn1cc(CN(CCOC)Cc2cccs2)ccc1=O
InChIInChI=1S/C16H22N2O2S/c1-3-18-12-14(6-7-16(18)19)11-17(8-9-20-2)13-15-5-4-10-21-15/h4-7,10,12H,3,8-9,11,13H2,1-2H3
InChIKeyLOYAPCRHALZJKX-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.58
Rot. Bonds8

About 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one

1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one (PubChem CID 53191757) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one
PubChem CID53191757
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one
SMILESCCn1cc(CN(CCOC)Cc2cccs2)ccc1=O
InChIInChI=1S/C16H22N2O2S/c1-3-18-12-14(6-7-16(18)19)11-17(8-9-20-2)13-15-5-4-10-21-15/h4-7,10,12H,3,8-9,11,13H2,1-2H3
InChIKeyLOYAPCRHALZJKX-UHFFFAOYSA-N
XLogP2.58
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxylic acid, morpholide
CID 531921
N-(2-methoxyethyl)-6-methyl-N-[(3-methyl-2-thienyl)methyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 50955298
N-ethyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 45825484
2-((4-fluorophenyl)thio)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)acetamide
CID 49676622
N-(2-methoxyethyl)-1-methyl-6-oxo-N-(2-thienylmethyl)-1,6-dihydropyridine-3-carboxamide
CID 50961651
1-isopropyl-N-(2-methoxyethyl)-N-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
CID 50976231
N,1-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 53508015
1-(2-Methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390053
N,1-dimethyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 118740673
1-Ethyl-5-{[4-(thiophene-2-carbonyl)piperazin-1-YL]methyl}-1,2-dihydropyridin-2-one
CID 53191695
2-(benzylthio)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)acetamide
CID 49676621
2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide
CID 15137847

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one (CID 53191757) is 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one is CCn1cc(CN(CCOC)Cc2cccs2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one?
The InChIKey is LOYAPCRHALZJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-18-12-14(6-7-16(18)19)11-17(8-9-20-2)13-15-5-4-10-21-15/h4-7,10,12H,3,8-9,11,13H2,1-2H3.
What are the key properties of 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one?
1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one has a molecular weight of 306.43 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]pyridin-2-one is sourced from PubChem (CID 53191757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).