methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate

C14H14N2O2 — CID 157043552

IUPACmethyl 4-[(3-methyl-4-pyridinyl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccncc2C)cc1
InChIInChI=1S/C14H14N2O2/c1-10-9-15-8-7-13(10)16-12-5-3-11(4-6-12)14(17)18-2/h3-9H,1-2H3,(H,15,16)
InChIKeyGPPWENDQFOABEQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.92
Rot. Bonds3

About methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate

methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate (PubChem CID 157043552) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-methyl-4-pyridinyl)amino]benzoate
PubChem CID157043552
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 4-[(3-methyl-4-pyridinyl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccncc2C)cc1
InChIInChI=1S/C14H14N2O2/c1-10-9-15-8-7-13(10)16-12-5-3-11(4-6-12)14(17)18-2/h3-9H,1-2H3,(H,15,16)
InChIKeyGPPWENDQFOABEQ-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate
CID 66524293
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate
CID 82482908
methyl 4-[(7-bromoquinolin-4-yl)amino]benzoate
CID 50877245
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-(2-aminoanilino)benzoate
CID 68667054
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
methyl 4-(3-methoxy-2-methylanilino)benzoate
CID 69185509
methyl 3-(4-aminoanilino)-4-methylbenzoate
CID 4764130
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 4-methylpyridine-3-carboxylate
CID 10877301

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate?
The IUPAC name of methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate (CID 157043552) is methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate?
The canonical SMILES for methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate is COC(=O)c1ccc(Nc2ccncc2C)cc1.
What is the InChIKey of methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate?
The InChIKey is GPPWENDQFOABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-9-15-8-7-13(10)16-12-5-3-11(4-6-12)14(17)18-2/h3-9H,1-2H3,(H,15,16).
What are the key properties of methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate?
methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate has a molecular weight of 242.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate is sourced from PubChem (CID 157043552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).