3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one

C16H22N2O2S — CID 58808705

IUPAC3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CNCCOC)s2)c(C)[nH]c1=O
InChIInChI=1S/C16H22N2O2S/c1-4-12-9-14(11(2)18-16(12)19)15-6-5-13(21-15)10-17-7-8-20-3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyYMFIBZRGPSTPBX-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.71
Rot. Bonds7

About 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one

3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one (PubChem CID 58808705) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
PubChem CID58808705
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CNCCOC)s2)c(C)[nH]c1=O
InChIInChI=1S/C16H22N2O2S/c1-4-12-9-14(11(2)18-16(12)19)15-6-5-13(21-15)10-17-7-8-20-3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyYMFIBZRGPSTPBX-UHFFFAOYSA-N
XLogP2.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one (CID 58808705) is 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one is CCc1cc(-c2ccc(CNCCOC)s2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The InChIKey is YMFIBZRGPSTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-12-9-14(11(2)18-16(12)19)15-6-5-13(21-15)10-17-7-8-20-3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one has a molecular weight of 306.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58808705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).