2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid

C20H26N2O2 — CID 82220513

IUPAC2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(-c2cc(C(C)C)nc(N(C)C)c2C(=O)O)cc1
InChIInChI=1S/C20H26N2O2/c1-12(2)14-7-9-15(10-8-14)16-11-17(13(3)4)21-19(22(5)6)18(16)20(23)24/h7-13H,1-6H3,(H,23,24)
InChIKeyHYASMLNIXIVCNX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.76
Rot. Bonds5

About 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid

2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid (PubChem CID 82220513) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
PubChem CID82220513
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(-c2cc(C(C)C)nc(N(C)C)c2C(=O)O)cc1
InChIInChI=1S/C20H26N2O2/c1-12(2)14-7-9-15(10-8-14)16-11-17(13(3)4)21-19(22(5)6)18(16)20(23)24/h7-13H,1-6H3,(H,23,24)
InChIKeyHYASMLNIXIVCNX-UHFFFAOYSA-N
XLogP4.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid (CID 82220513) is 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid is CC(C)c1ccc(-c2cc(C(C)C)nc(N(C)C)c2C(=O)O)cc1.
What is the InChIKey of 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
The InChIKey is HYASMLNIXIVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-12(2)14-7-9-15(10-8-14)16-11-17(13(3)4)21-19(22(5)6)18(16)20(23)24/h7-13H,1-6H3,(H,23,24).
What are the key properties of 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid?
2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-propan-2-yl-4-(4-propan-2-ylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82220513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).