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

C15H16N2O2 — CID 102822634

IUPAC3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccccn1)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-17(10-8-13-6-2-3-9-16-13)14-7-4-5-12(11-14)15(18)19/h2-7,9,11H,8,10H2,1H3,(H,18,19)
InChIKeyUSFOPWRAPIGWBS-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.46
Rot. Bonds5

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

3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid (PubChem CID 102822634) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
PubChem CID102822634
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccccn1)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-17(10-8-13-6-2-3-9-16-13)14-7-4-5-12(11-14)15(18)19/h2-7,9,11H,8,10H2,1H3,(H,18,19)
InChIKeyUSFOPWRAPIGWBS-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 82800570
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-fluoro-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzoic acid
CID 63069441
3-[methyl(pyrimidin-2-yl)amino]benzoic acid
CID 82512926
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The IUPAC name of 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid (CID 102822634) is 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid.
What is the SMILES notation for 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The canonical SMILES for 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid is CN(CCc1ccccn1)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The InChIKey is USFOPWRAPIGWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(10-8-13-6-2-3-9-16-13)14-7-4-5-12(11-14)15(18)19/h2-7,9,11H,8,10H2,1H3,(H,18,19).
What are the key properties of 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid is sourced from PubChem (CID 102822634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).