3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid

C12H14Cl2N2O3 — CID 114037140

IUPAC3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-6(2)8(5-10(17)18)15-12(19)7-3-4-9(13)16-11(7)14/h3-4,6,8H,5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyBUXDFGLWNLVAMB-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.62
Rot. Bonds5

About 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid

3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 114037140) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID114037140
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-6(2)8(5-10(17)18)15-12(19)7-3-4-9(13)16-11(7)14/h3-4,6,8H,5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyBUXDFGLWNLVAMB-UHFFFAOYSA-N
XLogP2.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic 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

2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 113246368
3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106993309
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79249197
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
3-[(2-bromo-5-iodobenzoyl)amino]-4-methylpentanoic acid
CID 114027480
2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 106994379
2,6-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86846897

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 114037140) is 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)C(CC(=O)O)NC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is BUXDFGLWNLVAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-6(2)8(5-10(17)18)15-12(19)7-3-4-9(13)16-11(7)14/h3-4,6,8H,5H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 114037140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).