2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid

C15H18N2O2 — CID 174361351

IUPAC2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid
SMILESCCNN1C=C(C(=O)O)C=CC1Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-2-16-17-11-13(15(18)19)8-9-14(17)10-12-6-4-3-5-7-12/h3-9,11,14,16H,2,10H2,1H3,(H,18,19)
InChIKeyWOZVJOJUMDBINE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.96
Rot. Bonds5

About 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid

2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid (PubChem CID 174361351) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid
PubChem CID174361351
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid
SMILESCCNN1C=C(C(=O)O)C=CC1Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-2-16-17-11-13(15(18)19)8-9-14(17)10-12-6-4-3-5-7-12/h3-9,11,14,16H,2,10H2,1H3,(H,18,19)
InChIKeyWOZVJOJUMDBINE-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid?
The IUPAC name of 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid (CID 174361351) is 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid is CCNN1C=C(C(=O)O)C=CC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid?
The InChIKey is WOZVJOJUMDBINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-16-17-11-13(15(18)19)8-9-14(17)10-12-6-4-3-5-7-12/h3-9,11,14,16H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid?
2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 174361351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).