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

C17H18N2O4 — CID 71281814

IUPAC5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2C2CC2)cc1
InChIInChI=1S/C17H18N2O4/c1-19(2)11-7-5-10(6-8-11)14-12(9-3-4-9)15(20)13(17(22)23)16(21)18-14/h5-9H,3-4H2,1-2H3,(H,22,23)(H2,18,20,21)
InChIKeyMCBOTVXJJOHJOD-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.39
Rot. Bonds4

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

5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281814) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281814
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2C2CC2)cc1
InChIInChI=1S/C17H18N2O4/c1-19(2)11-7-5-10(6-8-11)14-12(9-3-4-9)15(20)13(17(22)23)16(21)18-14/h5-9H,3-4H2,1-2H3,(H,22,23)(H2,18,20,21)
InChIKeyMCBOTVXJJOHJOD-UHFFFAOYSA-N
XLogP2.39
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292624
6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281676
1-Benzyl-6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid
CID 137644959
6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281769
6-(4-(Dimethylamino)phenyl)-5-ethyl-4-methoxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 71281784
6-[4-(diethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281794
6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281801
6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281837
6-[4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281876
6-[4-(dimethylamino)-2-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281877
6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
CID 71281884
5-ethyl-4-hydroxy-6-[4-[3-(methylaminomethyl)pyrrolidin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281945

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281814) is 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is MCBOTVXJJOHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-19(2)11-7-5-10(6-8-11)14-12(9-3-4-9)15(20)13(17(22)23)16(21)18-14/h5-9H,3-4H2,1-2H3,(H,22,23)(H2,18,20,21).
What are the key properties of 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).