4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid

C15H12N2O5 — CID 137660166

IUPAC4-(3-acetamidophenyl)pyridine-2,6-dicarboxylic acid
SMILESCC(=O)NC1=CC=CC(=C1)C2=CC(=NC(=C2)C(=O)O)C(=O)O
InChIInChI=1S/C15H12N2O5/c1-8(18)16-11-4-2-3-9(5-11)10-6-12(14(19)20)17-13(7-10)15(21)22/h2-7H,1H3,(H,16,18)(H,19,20)(H,21,22)
InChIKeyDNRKHSWQNBHGKQ-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.40
Rot. Bonds4

About 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid

4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid (PubChem CID 137660166) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid
PubChem CID137660166
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name4-(3-acetamidophenyl)pyridine-2,6-dicarboxylic acid
SMILESCC(=O)NC1=CC=CC(=C1)C2=CC(=NC(=C2)C(=O)O)C(=O)O
InChIInChI=1S/C15H12N2O5/c1-8(18)16-11-4-2-3-9(5-11)10-6-12(14(19)20)17-13(7-10)15(21)22/h2-7H,1H3,(H,16,18)(H,19,20)(H,21,22)
InChIKeyDNRKHSWQNBHGKQ-UHFFFAOYSA-N
XLogP1.40
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity431

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quinaldic Acid
CID 7124
4-Phenylpyridine-2,6-dicarboxylic acid
CID 12843432
5-phenyl-1H-pyrrole-2-carboxylic acid
CID 226199
6-Phenylpyridine-2-carboxylic Acid
CID 2762884
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
4-{[(6-{[(4-Carboxyphenyl)amino]carbonyl}pyridin-2-yl)carbonyl]amino}benzoic acid
CID 22310672
3-[[2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]benzoic acid;dihydrochloride
CID 69447448
4-(4-Hydroxyphenyl)pyridine-2,6-dicarboxylic acid
CID 136706344
2-Pyridinecarboxylic acid, 5-(phenylmethyl)-
CID 3042842
5-phenylpyridine-2-carboxylic Acid
CID 2762870
8-Hydroxy-4-(1-Hydroxyethyl)Quinoline-2-Carboxylic Acid
CID 5289243
3-[(E)-3-anilino-3-oxoprop-1-enyl]-4-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 10780409

Frequently Asked Questions

What is the IUPAC name of 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid (CID 137660166) is 4-(3-acetamidophenyl)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid is CC(=O)NC1=CC=CC(=C1)C2=CC(=NC(=C2)C(=O)O)C(=O)O.
What is the InChIKey of 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid?
The InChIKey is DNRKHSWQNBHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-8(18)16-11-4-2-3-9(5-11)10-6-12(14(19)20)17-13(7-10)15(21)22/h2-7H,1H3,(H,16,18)(H,19,20)(H,21,22).
What are the key properties of 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid?
4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-Acetamidophenyl)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 137660166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).