6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid

C13H20N2O2 — CID 106904993

IUPAC6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
SMILESCCC(CC)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H20N2O2/c1-3-10(4-2)8-14-9-11-6-5-7-12(15-11)13(16)17/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyFPZKQVCDBMBHDV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.31
Rot. Bonds7

About 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid

6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904993) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
PubChem CID106904993
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
SMILESCCC(CC)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H20N2O2/c1-3-10(4-2)8-14-9-11-6-5-7-12(15-11)13(16)17/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyFPZKQVCDBMBHDV-UHFFFAOYSA-N
XLogP2.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2-ethyl-4-hydroxybutyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904840
6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904972
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106178072
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904960
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904961

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid (CID 106904993) is 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid is CCC(CC)CNCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is FPZKQVCDBMBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10(4-2)8-14-9-11-6-5-7-12(15-11)13(16)17/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid?
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).