2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid

C18H22N2O2 — CID 82220477

IUPAC2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid
SMILESCCN(CC)c1nc(C)cc(-c2ccc(C)cc2)c1C(=O)O
InChIInChI=1S/C18H22N2O2/c1-5-20(6-2)17-16(18(21)22)15(11-13(4)19-17)14-9-7-12(3)8-10-14/h7-11H,5-6H2,1-4H3,(H,21,22)
InChIKeyGUWNCDSNSFYLGU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.91
Rot. Bonds5

About 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid

2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 82220477) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid
PubChem CID82220477
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid
SMILESCCN(CC)c1nc(C)cc(-c2ccc(C)cc2)c1C(=O)O
InChIInChI=1S/C18H22N2O2/c1-5-20(6-2)17-16(18(21)22)15(11-13(4)19-17)14-9-7-12(3)8-10-14/h7-11H,5-6H2,1-4H3,(H,21,22)
InChIKeyGUWNCDSNSFYLGU-UHFFFAOYSA-N
XLogP3.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid (CID 82220477) is 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid is CCN(CC)c1nc(C)cc(-c2ccc(C)cc2)c1C(=O)O.
What is the InChIKey of 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is GUWNCDSNSFYLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-20(6-2)17-16(18(21)22)15(11-13(4)19-17)14-9-7-12(3)8-10-14/h7-11H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid?
2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82220477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).