2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid

C17H16N2O3 — CID 167821100

IUPAC2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NC(C)c2coc3ccccc23)n1
InChIInChI=1S/C17H16N2O3/c1-10-7-8-13(17(20)21)16(18-10)19-11(2)14-9-22-15-6-4-3-5-12(14)15/h3-9,11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyDNIAPPHHBDZAMI-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.01
Rot. Bonds4

About 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid

2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 167821100) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID167821100
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NC(C)c2coc3ccccc23)n1
InChIInChI=1S/C17H16N2O3/c1-10-7-8-13(17(20)21)16(18-10)19-11(2)14-9-22-15-6-4-3-5-12(14)15/h3-9,11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyDNIAPPHHBDZAMI-UHFFFAOYSA-N
XLogP4.01
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid (CID 167821100) is 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NC(C)c2coc3ccccc23)n1.
What is the InChIKey of 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is DNIAPPHHBDZAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-7-8-13(17(20)21)16(18-10)19-11(2)14-9-22-15-6-4-3-5-12(14)15/h3-9,11H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 167821100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).