pyridin-4-ylmethyl 2-amino-6-methylbenzoate

C14H14N2O2 — CID 61323419

IUPACpyridin-4-ylmethyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCc1ccncc1
InChIInChI=1S/C14H14N2O2/c1-10-3-2-4-12(15)13(10)14(17)18-9-11-5-7-16-8-6-11/h2-8H,9,15H2,1H3
InChIKeyQXCFNZXFNPUHRF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.33
Rot. Bonds3

About pyridin-4-ylmethyl 2-amino-6-methylbenzoate

pyridin-4-ylmethyl 2-amino-6-methylbenzoate (PubChem CID 61323419) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is pyridin-4-ylmethyl 2-amino-6-methylbenzoate.

Molecular Properties

Compound Namepyridin-4-ylmethyl 2-amino-6-methylbenzoate
PubChem CID61323419
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namepyridin-4-ylmethyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCc1ccncc1
InChIInChI=1S/C14H14N2O2/c1-10-3-2-4-12(15)13(10)14(17)18-9-11-5-7-16-8-6-11/h2-8H,9,15H2,1H3
InChIKeyQXCFNZXFNPUHRF-UHFFFAOYSA-N
XLogP2.33
TPSA65.21 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
pyridin-4-ylmethyl 3-amino-2-chlorobenzoate
CID 112580450
bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate
CID 101348093
cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
(5-chlorothiophen-2-yl)methyl 2-amino-6-methylbenzoate
CID 61321921
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
CID 61308511
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
2-amino-N-ethyl-6-methyl-N-pyridin-4-ylbenzamide
CID 106934342
4-methylpentyl 2-amino-6-methylbenzoate
CID 63446716
pyridin-4-ylmethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873634

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl 2-amino-6-methylbenzoate?
The IUPAC name of pyridin-4-ylmethyl 2-amino-6-methylbenzoate (CID 61323419) is pyridin-4-ylmethyl 2-amino-6-methylbenzoate.
What is the SMILES notation for pyridin-4-ylmethyl 2-amino-6-methylbenzoate?
The canonical SMILES for pyridin-4-ylmethyl 2-amino-6-methylbenzoate is Cc1cccc(N)c1C(=O)OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethyl 2-amino-6-methylbenzoate?
The InChIKey is QXCFNZXFNPUHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-3-2-4-12(15)13(10)14(17)18-9-11-5-7-16-8-6-11/h2-8H,9,15H2,1H3.
What are the key properties of pyridin-4-ylmethyl 2-amino-6-methylbenzoate?
pyridin-4-ylmethyl 2-amino-6-methylbenzoate has a molecular weight of 242.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl 2-amino-6-methylbenzoate is sourced from PubChem (CID 61323419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).