4-[methylamino(pyridin-2-yl)methyl]benzoic acid

C14H14N2O2 — CID 116953941

IUPAC4-[methylamino(pyridin-2-yl)methyl]benzoic acid
SMILESCNC(c1ccc(C(=O)O)cc1)c1ccccn1
InChIInChI=1S/C14H14N2O2/c1-15-13(12-4-2-3-9-16-12)10-5-7-11(8-6-10)14(17)18/h2-9,13,15H,1H3,(H,17,18)
InChIKeyQUUNBQUGYKVWHV-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.09
Rot. Bonds4

About 4-[methylamino(pyridin-2-yl)methyl]benzoic acid

4-[methylamino(pyridin-2-yl)methyl]benzoic acid (PubChem CID 116953941) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[methylamino(pyridin-2-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[methylamino(pyridin-2-yl)methyl]benzoic acid
PubChem CID116953941
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-[methylamino(pyridin-2-yl)methyl]benzoic acid
SMILESCNC(c1ccc(C(=O)O)cc1)c1ccccn1
InChIInChI=1S/C14H14N2O2/c1-15-13(12-4-2-3-9-16-12)10-5-7-11(8-6-10)14(17)18/h2-9,13,15H,1H3,(H,17,18)
InChIKeyQUUNBQUGYKVWHV-UHFFFAOYSA-N
XLogP2.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[methylamino(pyridin-2-yl)methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020
1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62802022
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid
CID 141164499
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
3-chloro-4-(1-pyridin-2-ylethylamino)benzoic acid
CID 63086633
2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
CID 68740587
3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid
CID 116953575
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 95145320
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756

Frequently Asked Questions

What is the IUPAC name of 4-[methylamino(pyridin-2-yl)methyl]benzoic acid?
The IUPAC name of 4-[methylamino(pyridin-2-yl)methyl]benzoic acid (CID 116953941) is 4-[methylamino(pyridin-2-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[methylamino(pyridin-2-yl)methyl]benzoic acid?
The canonical SMILES for 4-[methylamino(pyridin-2-yl)methyl]benzoic acid is CNC(c1ccc(C(=O)O)cc1)c1ccccn1.
What is the InChIKey of 4-[methylamino(pyridin-2-yl)methyl]benzoic acid?
The InChIKey is QUUNBQUGYKVWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-15-13(12-4-2-3-9-16-12)10-5-7-11(8-6-10)14(17)18/h2-9,13,15H,1H3,(H,17,18).
What are the key properties of 4-[methylamino(pyridin-2-yl)methyl]benzoic acid?
4-[methylamino(pyridin-2-yl)methyl]benzoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylamino(pyridin-2-yl)methyl]benzoic acid is sourced from PubChem (CID 116953941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).