5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid

C14H14N2O3 — CID 79885475

IUPAC5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid
SMILESCc1cc(=O)cc(C)n1-c1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H14N2O3/c1-8-5-11(17)6-9(2)16(8)13-4-3-10(15)7-12(13)14(18)19/h3-7H,15H2,1-2H3,(H,18,19)
InChIKeyPBFILSUUECQPTO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.73
Rot. Bonds2

About 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid

5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid (PubChem CID 79885475) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid
PubChem CID79885475
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid
SMILESCc1cc(=O)cc(C)n1-c1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H14N2O3/c1-8-5-11(17)6-9(2)16(8)13-4-3-10(15)7-12(13)14(18)19/h3-7H,15H2,1-2H3,(H,18,19)
InChIKeyPBFILSUUECQPTO-UHFFFAOYSA-N
XLogP1.73
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid
CID 79884479
3-bromo-4-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid
CID 79884941
5-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694563
5-amino-2-(2-oxopiperidin-1-yl)benzoic acid
CID 63116213
5-amino-2-thiomorpholin-4-ylbenzoic acid
CID 12784668
5-amino-2-(3,3-dimethoxyazetidin-1-yl)benzoic acid
CID 79688545
5-amino-2-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid
CID 103551350
5-amino-2-(3-phenylazetidin-1-yl)benzoic acid
CID 79689460
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702
5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
CID 102745193
4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid
CID 107796660
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid?
The IUPAC name of 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid (CID 79885475) is 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid.
What is the SMILES notation for 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid?
The canonical SMILES for 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid is Cc1cc(=O)cc(C)n1-c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid?
The InChIKey is PBFILSUUECQPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-5-11(17)6-9(2)16(8)13-4-3-10(15)7-12(13)14(18)19/h3-7H,15H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid?
5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid is sourced from PubChem (CID 79885475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).