methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate

C14H14N2O2 — CID 19381132

IUPACmethyl 2-amino-5-(pyridin-3-ylmethyl)benzoate
SMILESCOC(=O)c1cc(Cc2cccnc2)ccc1N
InChIInChI=1S/C14H14N2O2/c1-18-14(17)12-8-10(4-5-13(12)15)7-11-3-2-6-16-9-11/h2-6,8-9H,7,15H2,1H3
InChIKeyHKHPGFFWNPNGER-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate

methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate (PubChem CID 19381132) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(pyridin-3-ylmethyl)benzoate
PubChem CID19381132
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-amino-5-(pyridin-3-ylmethyl)benzoate
SMILESCOC(=O)c1cc(Cc2cccnc2)ccc1N
InChIInChI=1S/C14H14N2O2/c1-18-14(17)12-8-10(4-5-13(12)15)7-11-3-2-6-16-9-11/h2-6,8-9H,7,15H2,1H3
InChIKeyHKHPGFFWNPNGER-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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

methyl 2-amino-5-[(3-ethoxycarbonylphenyl)methyl]benzoate
CID 25137342
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
methyl 4-amino-3-(pyridin-3-ylmethylamino)benzoate
CID 82784968
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
methyl 2-amino-5-[(2R)-2-amino-3-methoxy-3-oxopropyl]benzoate
CID 171237983
methyl 5-amino-3-chloro-2-[methyl(pyridin-3-ylmethyl)amino]benzoate
CID 107194183
ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate
CID 13365786
2-methylpropyl 2-amino-5-[[4-amino-3-(2-methylpropoxycarbonyl)phenyl]methyl]benzoate
CID 101384332
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[[(3-fluoro-4-methoxycarbonylphenyl)methyl-sulfinatoamino]methyl]pyridine
CID 126507991
butyl 2-amino-5-[(4-amino-3-butoxycarbonylphenyl)methyl]benzoate
CID 101384340

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate?
The IUPAC name of methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate (CID 19381132) is methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate.
What is the SMILES notation for methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate?
The canonical SMILES for methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate is COC(=O)c1cc(Cc2cccnc2)ccc1N.
What is the InChIKey of methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate?
The InChIKey is HKHPGFFWNPNGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14(17)12-8-10(4-5-13(12)15)7-11-3-2-6-16-9-11/h2-6,8-9H,7,15H2,1H3.
What are the key properties of methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate?
methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate has a molecular weight of 242.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate is sourced from PubChem (CID 19381132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).