4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C12H15ClN2O3 — CID 114049220

IUPAC4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCc1nc(Cl)ccc1NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-6(7(2)12(17)18)11(16)15-9-4-5-10(13)14-8(9)3/h4-7H,1-3H3,(H,15,16)(H,17,18)
InChIKeyPQYZIKCVHKOLBQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.34
Rot. Bonds4

About 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 114049220) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID114049220
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCc1nc(Cl)ccc1NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-6(7(2)12(17)18)11(16)15-9-4-5-10(13)14-8(9)3/h4-7H,1-3H3,(H,15,16)(H,17,18)
InChIKeyPQYZIKCVHKOLBQ-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide
CID 107300958
N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide
CID 107301300
2-[2-[(6-chloro-2-methyl-3-pyridinyl)amino]ethenyl]propanedioic acid
CID 173127367
2,3-dimethyl-4-(2-methylanilino)-4-oxobutanoic acid;methane
CID 158872294
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301135
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
4-(3-methoxy-2,4-dimethylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497339
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
CID 107301045
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498313
6-chloro-2-methyl-N-(3-methylbutan-2-yl)pyridin-3-amine
CID 107272250

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 114049220) is 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid is Cc1nc(Cl)ccc1NC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is PQYZIKCVHKOLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-6(7(2)12(17)18)11(16)15-9-4-5-10(13)14-8(9)3/h4-7H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 270.72 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 114049220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).