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

C16H23ClN2O2S — CID 67492479

IUPAC3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCCc1cc(-c2ccc(CNCCOC)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C16H22N2O2S.ClH/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);1H
InChIKeyPZVUGPXXGOZOBB-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.13
Rot. Bonds7

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

3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 67492479) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID67492479
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC Name3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCCc1cc(-c2ccc(CNCCOC)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C16H22N2O2S.ClH/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);1H
InChIKeyPZVUGPXXGOZOBB-UHFFFAOYSA-N
XLogP3.13
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.13
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;hydrochloride?
The IUPAC name of 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride (CID 67492479) is 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride is CCc1cc(-c2ccc(CNCCOC)s2)c(C)[nH]c1=O.Cl.
What is the InChIKey of 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is PZVUGPXXGOZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S.ClH/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);1H.
What are the key properties of 3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride?
3-ethyl-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 3.13, 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;hydrochloride is sourced from PubChem (CID 67492479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).