4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid

C13H20N2O2 — CID 63881450

IUPAC4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)CCN(C)Cc1ccnc(C(=O)O)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)5-7-15(3)9-11-4-6-14-12(8-11)13(16)17/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,17)
InChIKeyYIPCPWZMLGLYHD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.26
Rot. Bonds6

About 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid

4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 63881450) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID63881450
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)CCN(C)Cc1ccnc(C(=O)O)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)5-7-15(3)9-11-4-6-14-12(8-11)13(16)17/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,17)
InChIKeyYIPCPWZMLGLYHD-UHFFFAOYSA-N
XLogP2.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid (CID 63881450) is 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid is CC(C)CCN(C)Cc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is YIPCPWZMLGLYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)5-7-15(3)9-11-4-6-14-12(8-11)13(16)17/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,17).
What are the key properties of 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid?
4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63881450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).