methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate

C19H17N3O2 — CID 11493454

IUPACmethyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate
SMILESCOC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(N)c2)c1
InChIInChI=1S/C19H17N3O2/c1-24-19(23)15-9-14(13-7-8-21-18(20)12-13)10-17(11-15)22-16-5-3-2-4-6-16/h2-12,22H,1H3,(H2,20,21)
InChIKeyRNEZEHUQTUEHNY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.86
Rot. Bonds4

About methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate

methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate (PubChem CID 11493454) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate
PubChem CID11493454
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Namemethyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate
SMILESCOC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(N)c2)c1
InChIInChI=1S/C19H17N3O2/c1-24-19(23)15-9-14(13-7-8-21-18(20)12-13)10-17(11-15)22-16-5-3-2-4-6-16/h2-12,22H,1H3,(H2,20,21)
InChIKeyRNEZEHUQTUEHNY-UHFFFAOYSA-N
XLogP3.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate?
The IUPAC name of methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate (CID 11493454) is methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate.
What is the SMILES notation for methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate?
The canonical SMILES for methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate is COC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(N)c2)c1.
What is the InChIKey of methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate?
The InChIKey is RNEZEHUQTUEHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-19(23)15-9-14(13-7-8-21-18(20)12-13)10-17(11-15)22-16-5-3-2-4-6-16/h2-12,22H,1H3,(H2,20,21).
What are the key properties of methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate?
methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate has a molecular weight of 319.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-4-pyridinyl)-5-anilinobenzoate is sourced from PubChem (CID 11493454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).