6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid

C16H18N2O3 — CID 13209201

IUPAC6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N2O3/c1-4-18-10-13(16(20)21)15(19)9-14(18)11-5-7-12(8-6-11)17(2)3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyAKBXSBHUDQHSJE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.30
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid

6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid (PubChem CID 13209201) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid
PubChem CID13209201
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N2O3/c1-4-18-10-13(16(20)21)15(19)9-14(18)11-5-7-12(8-6-11)17(2)3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyAKBXSBHUDQHSJE-UHFFFAOYSA-N
XLogP2.30
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid (CID 13209201) is 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)cc1-c1ccc(N(C)C)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is AKBXSBHUDQHSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-18-10-13(16(20)21)15(19)9-14(18)11-5-7-12(8-6-11)17(2)3/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid?
6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-1-ethyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 13209201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).