5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid

C14H10Cl2N2O3 — CID 63154381

IUPAC5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-11-2-1-8(3-12(11)16)4-13(19)18-10-5-9(14(20)21)6-17-7-10/h1-3,5-7H,4H2,(H,18,19)(H,20,21)
InChIKeyIYPFISIPMFSOEK-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.27
Rot. Bonds4

About 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid

5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 63154381) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid
PubChem CID63154381
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-11-2-1-8(3-12(11)16)4-13(19)18-10-5-9(14(20)21)6-17-7-10/h1-3,5-7H,4H2,(H,18,19)(H,20,21)
InChIKeyIYPFISIPMFSOEK-UHFFFAOYSA-N
XLogP3.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic 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

N-(6-chloropyrazin-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 115599301
5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid
CID 115341445
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
5-[[2-(2-methoxyphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63153455
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114293210
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 63153996
5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid
CID 63153997

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid (CID 63154381) is 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is IYPFISIPMFSOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-11-2-1-8(3-12(11)16)4-13(19)18-10-5-9(14(20)21)6-17-7-10/h1-3,5-7H,4H2,(H,18,19)(H,20,21).
What are the key properties of 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid?
5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 325.15 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63154381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).