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

C18H26N2OS — CID 58808576

IUPAC3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CNC(C)C(C)C)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H26N2OS/c1-6-14-9-16(13(5)20-18(14)21)17-8-7-15(22-17)10-19-12(4)11(2)3/h7-9,11-12,19H,6,10H2,1-5H3,(H,20,21)
InChIKeyUIKSJIUAXBDUJZ-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.11
Rot. Bonds6

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

3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one (PubChem CID 58808576) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one
PubChem CID58808576
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CNC(C)C(C)C)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H26N2OS/c1-6-14-9-16(13(5)20-18(14)21)17-8-7-15(22-17)10-19-12(4)11(2)3/h7-9,11-12,19H,6,10H2,1-5H3,(H,20,21)
InChIKeyUIKSJIUAXBDUJZ-UHFFFAOYSA-N
XLogP4.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-ethyl-6-methyl-5-[5-[(2-phenoxyethylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one;hydrochloride
CID 67492369
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride
CID 86610352
3-ethyl-6-methyl-5-[5-(4-phenylbutyl)thiophen-2-yl]-1H-pyridin-2-one;hydrochloride
CID 162241896
3-ethyl-6-methyl-5-[5-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one;hydrochloride
CID 67492190
5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one
CID 143120448
(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
CID 59978709
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 58808571
5-[5-[[[1-(cyclohexylmethyl)piperidin-4-yl]amino]methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one;dihydrochloride
CID 67492471
ethane;3-ethyl-5-[5-[(3-methoxypiperidin-1-yl)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
CID 143120430
N-(1,3-benzodioxol-5-ylmethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 58808742
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylthiophene-2-carboxamide
CID 58808530
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 11705027

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one (CID 58808576) is 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one is CCc1cc(-c2ccc(CNC(C)C(C)C)s2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one?
The InChIKey is UIKSJIUAXBDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-6-14-9-16(13(5)20-18(14)21)17-8-7-15(22-17)10-19-12(4)11(2)3/h7-9,11-12,19H,6,10H2,1-5H3,(H,20,21).
What are the key properties of 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one?
3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one has a molecular weight of 318.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-[5-[(3-methylbutan-2-ylamino)methyl]thiophen-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 58808576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).