6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid

C19H24N2O2 — CID 154656164

IUPAC6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(C)(C)C)cc(Nc2ccc(C(=O)O)c(C)n2)c1C
InChIInChI=1S/C19H24N2O2/c1-11-9-14(19(4,5)6)10-16(12(11)2)21-17-8-7-15(18(22)23)13(3)20-17/h7-10H,1-6H3,(H,20,21)(H,22,23)
InChIKeyKGEHJEKJSVLRQX-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.75
Rot. Bonds3

About 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid

6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid (PubChem CID 154656164) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid
PubChem CID154656164
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(C)(C)C)cc(Nc2ccc(C(=O)O)c(C)n2)c1C
InChIInChI=1S/C19H24N2O2/c1-11-9-14(19(4,5)6)10-16(12(11)2)21-17-8-7-15(18(22)23)13(3)20-17/h7-10H,1-6H3,(H,20,21)(H,22,23)
InChIKeyKGEHJEKJSVLRQX-UHFFFAOYSA-N
XLogP4.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid (CID 154656164) is 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid is Cc1cc(C(C)(C)C)cc(Nc2ccc(C(=O)O)c(C)n2)c1C.
What is the InChIKey of 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid?
The InChIKey is KGEHJEKJSVLRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11-9-14(19(4,5)6)10-16(12(11)2)21-17-8-7-15(18(22)23)13(3)20-17/h7-10H,1-6H3,(H,20,21)(H,22,23).
What are the key properties of 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid?
6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 154656164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).