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

C16H18N2O4 — CID 71281676

IUPAC6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H18N2O4/c1-4-11-13(9-5-7-10(8-6-9)18(2)3)17-15(20)12(14(11)19)16(21)22/h5-8H,4H2,1-3H3,(H,21,22)(H2,17,19,20)
InChIKeySZYIZCMONXXWNB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.07
Rot. Bonds4

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

6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281676) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281676
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H18N2O4/c1-4-11-13(9-5-7-10(8-6-9)18(2)3)17-15(20)12(14(11)19)16(21)22/h5-8H,4H2,1-3H3,(H,21,22)(H2,17,19,20)
InChIKeySZYIZCMONXXWNB-UHFFFAOYSA-N
XLogP2.07
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281676) is 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is SZYIZCMONXXWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-11-13(9-5-7-10(8-6-9)18(2)3)17-15(20)12(14(11)19)16(21)22/h5-8H,4H2,1-3H3,(H,21,22)(H2,17,19,20).
What are the key properties of 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).