4-(6-acetamido-2-pyridinyl)benzoic acid

C14H12N2O3 — CID 141378052

IUPAC4-(6-acetamido-2-pyridinyl)benzoic acid
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C14H12N2O3/c1-9(17)15-13-4-2-3-12(16-13)10-5-7-11(8-6-10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)
InChIKeyFSMDCEBCVJWRBQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.41
Rot. Bonds3

About 4-(6-acetamido-2-pyridinyl)benzoic acid

4-(6-acetamido-2-pyridinyl)benzoic acid (PubChem CID 141378052) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(6-acetamido-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(6-acetamido-2-pyridinyl)benzoic acid
PubChem CID141378052
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-(6-acetamido-2-pyridinyl)benzoic acid
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C14H12N2O3/c1-9(17)15-13-4-2-3-12(16-13)10-5-7-11(8-6-10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)
InChIKeyFSMDCEBCVJWRBQ-UHFFFAOYSA-N
XLogP2.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-phenyl-2-pyridinyl)benzamide
CID 24949410
2-amino-3-methyl-N-(6-phenyl-2-pyridinyl)butanamide
CID 110481515
ethyl 2-oxo-2-[(6-phenyl-2-pyridinyl)amino]acetate
CID 110481902
4-amino-N-(6-phenyl-2-pyridinyl)butanamide
CID 110479984
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124987095
N-(6-phenyl-2-pyridinyl)thiophene-2-carboxamide
CID 110482191
tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate
CID 59166177
N-(6-methylsulfanyl-2-pyridinyl)acetamide
CID 130710771
1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone
CID 118588185
4-[6-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-2-pyridinyl]benzoic acid
CID 21354189
acetic acid;terephthalic acid
CID 158530154

Frequently Asked Questions

What is the IUPAC name of 4-(6-acetamido-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(6-acetamido-2-pyridinyl)benzoic acid (CID 141378052) is 4-(6-acetamido-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(6-acetamido-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(6-acetamido-2-pyridinyl)benzoic acid is CC(=O)Nc1cccc(-c2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-(6-acetamido-2-pyridinyl)benzoic acid?
The InChIKey is FSMDCEBCVJWRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9(17)15-13-4-2-3-12(16-13)10-5-7-11(8-6-10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-(6-acetamido-2-pyridinyl)benzoic acid?
4-(6-acetamido-2-pyridinyl)benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetamido-2-pyridinyl)benzoic acid is sourced from PubChem (CID 141378052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).