3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid

C15H16N2O2 — CID 43565174

IUPAC3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
SMILESCN(Cc1cccc(C(=O)O)c1)Cc1ccccn1
InChIInChI=1S/C15H16N2O2/c1-17(11-14-7-2-3-8-16-14)10-12-5-4-6-13(9-12)15(18)19/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCEJVFYCCXBVNQH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.41
Rot. Bonds5

About 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid

3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid (PubChem CID 43565174) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
PubChem CID43565174
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
SMILESCN(Cc1cccc(C(=O)O)c1)Cc1ccccn1
InChIInChI=1S/C15H16N2O2/c1-17(11-14-7-2-3-8-16-14)10-12-5-4-6-13(9-12)15(18)19/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCEJVFYCCXBVNQH-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248751
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
3-[[methyl(propyl)amino]methyl]benzoic acid
CID 43271448
3-[[2-(dimethylamino)ethyl-methylamino]methyl]benzoic acid
CID 63695430
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
3-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 29006188
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid (CID 43565174) is 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid is CN(Cc1cccc(C(=O)O)c1)Cc1ccccn1.
What is the InChIKey of 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid?
The InChIKey is CEJVFYCCXBVNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(11-14-7-2-3-8-16-14)10-12-5-4-6-13(9-12)15(18)19/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid?
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid is sourced from PubChem (CID 43565174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).