3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid

C16H16N2O4 — CID 108794871

IUPAC3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H16N2O4/c1-10-6-14(19)7-11(2)18(10)9-15(20)17-13-5-3-4-12(8-13)16(21)22/h3-8H,9H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyQHRJYHQRKYXVQP-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.80
Rot. Bonds4

About 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid

3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid (PubChem CID 108794871) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
PubChem CID108794871
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H16N2O4/c1-10-6-14(19)7-11(2)18(10)9-15(20)17-13-5-3-4-12(8-13)16(21)22/h3-8H,9H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyQHRJYHQRKYXVQP-UHFFFAOYSA-N
XLogP1.80
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 108806419
N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794875
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
3-[(2-tert-butylsulfanylacetyl)amino]benzoic acid
CID 28778973
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
3-[(2-chloroacetyl)amino]benzoic acid;hydrochloride
CID 67825046
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
3-[(3-amino-3-methylbutanoyl)amino]benzoic acid
CID 64677151
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid (CID 108794871) is 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid is Cc1cc(=O)cc(C)n1CC(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid?
The InChIKey is QHRJYHQRKYXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-6-14(19)7-11(2)18(10)9-15(20)17-13-5-3-4-12(8-13)16(21)22/h3-8H,9H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid?
3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 108794871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).