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

C14H14N2O2 — CID 43563540

IUPAC4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
SMILESCN(Cc1cccnc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c1-16(10-11-3-2-8-15-9-11)13-6-4-12(5-7-13)14(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYGCFBGSQRDQING-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.42
Rot. Bonds4

About 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid

4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid (PubChem CID 43563540) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
PubChem CID43563540
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
SMILESCN(Cc1cccnc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c1-16(10-11-3-2-8-15-9-11)13-6-4-12(5-7-13)14(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYGCFBGSQRDQING-UHFFFAOYSA-N
XLogP2.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 63371061
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991
N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563488
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569290
4-[4-ethoxy-3-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 59179014
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid?
The IUPAC name of 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid (CID 43563540) is 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid.
What is the SMILES notation for 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid?
The canonical SMILES for 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid is CN(Cc1cccnc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid?
The InChIKey is YGCFBGSQRDQING-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16(10-11-3-2-8-15-9-11)13-6-4-12(5-7-13)14(17)18/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid?
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid is sourced from PubChem (CID 43563540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).