6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid

C16H18N2O2 — CID 106904632

IUPAC6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1cccc(CCNCc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H18N2O2/c1-12-4-2-5-13(10-12)8-9-17-11-14-6-3-7-15(18-14)16(19)20/h2-7,10,17H,8-9,11H2,1H3,(H,19,20)
InChIKeyKXEAEAHZSHRWMI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.42
Rot. Bonds6

About 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid

6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904632) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904632
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1cccc(CCNCc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H18N2O2/c1-12-4-2-5-13(10-12)8-9-17-11-14-6-3-7-15(18-14)16(19)20/h2-7,10,17H,8-9,11H2,1H3,(H,19,20)
InChIKeyKXEAEAHZSHRWMI-UHFFFAOYSA-N
XLogP2.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904907
1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607
6-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]pyridine-2-carboxylic acid
CID 106904990
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904658
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
CID 82893446

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid (CID 106904632) is 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid is Cc1cccc(CCNCc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is KXEAEAHZSHRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-4-2-5-13(10-12)8-9-17-11-14-6-3-7-15(18-14)16(19)20/h2-7,10,17H,8-9,11H2,1H3,(H,19,20).
What are the key properties of 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid?
6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).