1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid

C17H19NO4 — CID 82099895

IUPAC1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCCCCn1c(-c2ccccc2OC)ccc(C(=O)O)c1=O
InChIInChI=1S/C17H19NO4/c1-3-4-11-18-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-2/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyBFHDJBIVQGPYEO-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.02
Rot. Bonds6

About 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid

1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 82099895) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
PubChem CID82099895
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCCCCn1c(-c2ccccc2OC)ccc(C(=O)O)c1=O
InChIInChI=1S/C17H19NO4/c1-3-4-11-18-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-2/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyBFHDJBIVQGPYEO-UHFFFAOYSA-N
XLogP3.02
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid (CID 82099895) is 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid is CCCCn1c(-c2ccccc2OC)ccc(C(=O)O)c1=O.
What is the InChIKey of 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is BFHDJBIVQGPYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-4-11-18-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-2/h5-10H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82099895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).