3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid

C13H10Cl2N2O3S — CID 106993309

IUPAC3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc(Cl)nc1Cl)c1cccs1
InChIInChI=1S/C13H10Cl2N2O3S/c14-10-4-3-7(12(15)17-10)13(20)16-8(6-11(18)19)9-2-1-5-21-9/h1-5,8H,6H2,(H,16,20)(H,18,19)
InChIKeyNTPLCUHUFGCULB-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.40
Rot. Bonds5

About 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid

3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid (PubChem CID 106993309) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
PubChem CID106993309
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc(Cl)nc1Cl)c1cccs1
InChIInChI=1S/C13H10Cl2N2O3S/c14-10-4-3-7(12(15)17-10)13(20)16-8(6-11(18)19)9-2-1-5-21-9/h1-5,8H,6H2,(H,16,20)(H,18,19)
InChIKeyNTPLCUHUFGCULB-UHFFFAOYSA-N
XLogP3.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic 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

3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
3-[(2-iodobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350832
3-[(2-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61213668
3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75512233
3-[(2,4-dimethoxybenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350859
3-(1-benzofuran-3-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75513256
3-[(4-bromo-3-chlorobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 81295751
3-(2-chloropropanoylamino)-3-thiophen-2-ylpropanoic acid
CID 43700897
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 62794621
3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 167960254
3-[(5-iodothiophene-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 79693778
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid (CID 106993309) is 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid is O=C(O)CC(NC(=O)c1ccc(Cl)nc1Cl)c1cccs1.
What is the InChIKey of 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The InChIKey is NTPLCUHUFGCULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c14-10-4-3-7(12(15)17-10)13(20)16-8(6-11(18)19)9-2-1-5-21-9/h1-5,8H,6H2,(H,16,20)(H,18,19).
What are the key properties of 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid has a molecular weight of 345.21 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 106993309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).