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

C17H20N2O4 — CID 71281884

IUPAC6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
SMILESCC(C)c1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C17H20N2O4/c1-9(2)12-14(10-5-7-11(8-6-10)19(3)4)18-16(21)13(15(12)20)17(22)23/h5-9H,1-4H3,(H,22,23)(H2,18,20,21)
InChIKeyFAKRYWGNYARTHV-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.64
Rot. Bonds4

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

6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid (PubChem CID 71281884) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
PubChem CID71281884
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
SMILESCC(C)c1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C17H20N2O4/c1-9(2)12-14(10-5-7-11(8-6-10)19(3)4)18-16(21)13(15(12)20)17(22)23/h5-9H,1-4H3,(H,22,23)(H2,18,20,21)
InChIKeyFAKRYWGNYARTHV-UHFFFAOYSA-N
XLogP2.64
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.64
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]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid (CID 71281884) is 6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid is CC(C)c1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The InChIKey is FAKRYWGNYARTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-9(2)12-14(10-5-7-11(8-6-10)19(3)4)18-16(21)13(15(12)20)17(22)23/h5-9H,1-4H3,(H,22,23)(H2,18,20,21).
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.64, 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]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).