1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

C14H15NO3S — CID 62875875

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(Cn2c(C)ccc(C(=O)O)c2=O)s1
InChIInChI=1S/C14H15NO3S/c1-3-10-5-6-11(19-10)8-15-9(2)4-7-12(13(15)16)14(17)18/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyRPQIYBGPZZFUND-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.53
Rot. Bonds4

About 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 62875875) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID62875875
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(Cn2c(C)ccc(C(=O)O)c2=O)s1
InChIInChI=1S/C14H15NO3S/c1-3-10-5-6-11(19-10)8-15-9(2)4-7-12(13(15)16)14(17)18/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyRPQIYBGPZZFUND-UHFFFAOYSA-N
XLogP2.53
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 62875875) is 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is CCc1ccc(Cn2c(C)ccc(C(=O)O)c2=O)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is RPQIYBGPZZFUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-10-5-6-11(19-10)8-15-9(2)4-7-12(13(15)16)14(17)18/h4-7H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62875875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).