6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid

C24H34N2O2 — CID 154656181

IUPAC6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid
SMILESCC(C)CN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C24H34N2O2/c1-16(2)15-26(21-10-9-17(14-25-21)22(27)28)20-12-18(23(3,4)5)11-19(13-20)24(6,7)8/h9-14,16H,15H2,1-8H3,(H,27,28)
InChIKeyVCRGDWUAXDMPKH-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.17
Rot. Bonds5

About 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid

6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid (PubChem CID 154656181) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid
PubChem CID154656181
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid
SMILESCC(C)CN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C24H34N2O2/c1-16(2)15-26(21-10-9-17(14-25-21)22(27)28)20-12-18(23(3,4)5)11-19(13-20)24(6,7)8/h9-14,16H,15H2,1-8H3,(H,27,28)
InChIKeyVCRGDWUAXDMPKH-UHFFFAOYSA-N
XLogP6.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid (CID 154656181) is 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid is CC(C)CN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is VCRGDWUAXDMPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-16(2)15-26(21-10-9-17(14-25-21)22(27)28)20-12-18(23(3,4)5)11-19(13-20)24(6,7)8/h9-14,16H,15H2,1-8H3,(H,27,28).
What are the key properties of 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid?
6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 382.55 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-ditert-butyl-N-(2-methylpropyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 154656181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).