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

Name: 6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₄N₂O₂ — CID 154656164

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid
PubChem CID	154656164
Molecular Formula	C₁₉H₂₄N₂O₂
Molecular Weight	312.41 g/mol
Exact Mass	312.18
IUPAC Name	6-(5-tert-butyl-2,3-dimethylanilino)-2-methylpyridine-3-carboxylic acid
SMILES	Cc1cc(C(C)(C)C)cc(Nc2ccc(C(=O)O)c(C)n2)c1C
InChI	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)
InChIKey	KGEHJEKJSVLRQX-UHFFFAOYSA-N
XLogP	4.75
TPSA	62.22 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.41
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 154656164 — identifiers, structure, computed properties (public domain)

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