6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid

C17H20N2O4 — CID 71281784

IUPAC6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1OC
InChIInChI=1S/C17H20N2O4/c1-5-12-14(10-6-8-11(9-7-10)19(2)3)18-16(20)13(17(21)22)15(12)23-4/h6-9H,5H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyNIUKSPMKTYZNNK-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.38
Rot. Bonds5

About 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281784) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281784
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1OC
InChIInChI=1S/C17H20N2O4/c1-5-12-14(10-6-8-11(9-7-10)19(2)3)18-16(20)13(17(21)22)15(12)23-4/h6-9H,5H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyNIUKSPMKTYZNNK-UHFFFAOYSA-N
XLogP2.38
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281784) is 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1OC.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is NIUKSPMKTYZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-5-12-14(10-6-8-11(9-7-10)19(2)3)18-16(20)13(17(21)22)15(12)23-4/h6-9H,5H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-5-ethyl-4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).