2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid

C16H18N2O2 — CID 82123790

IUPAC2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid
SMILESCCCc1ccc(-c2ccc(C(=O)O)c(NC)n2)cc1
InChIInChI=1S/C16H18N2O2/c1-3-4-11-5-7-12(8-6-11)14-10-9-13(16(19)20)15(17-2)18-14/h5-10H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyDXIJITLVNBNZGS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.44
Rot. Bonds5

About 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid

2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid (PubChem CID 82123790) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid
PubChem CID82123790
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid
SMILESCCCc1ccc(-c2ccc(C(=O)O)c(NC)n2)cc1
InChIInChI=1S/C16H18N2O2/c1-3-4-11-5-7-12(8-6-11)14-10-9-13(16(19)20)15(17-2)18-14/h5-10H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyDXIJITLVNBNZGS-UHFFFAOYSA-N
XLogP3.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid (CID 82123790) is 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid is CCCc1ccc(-c2ccc(C(=O)O)c(NC)n2)cc1.
What is the InChIKey of 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid?
The InChIKey is DXIJITLVNBNZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-4-11-5-7-12(8-6-11)14-10-9-13(16(19)20)15(17-2)18-14/h5-10H,3-4H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid?
2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82123790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).