ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate

C14H15N3O2 — CID 123452552

IUPACethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cccnc1N
InChIInChI=1S/C14H15N3O2/c1-2-19-14(18)10-6-3-4-7-11(10)17-12-8-5-9-16-13(12)15/h3-9,17H,2H2,1H3,(H2,15,16)
InChIKeyANVYWWZOUSVOOO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.58
Rot. Bonds4

About ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate

ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate (PubChem CID 123452552) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
PubChem CID123452552
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cccnc1N
InChIInChI=1S/C14H15N3O2/c1-2-19-14(18)10-6-3-4-7-11(10)17-12-8-5-9-16-13(12)15/h3-9,17H,2H2,1H3,(H2,15,16)
InChIKeyANVYWWZOUSVOOO-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-aminoanilino)benzoate
CID 131846844
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate
CID 56689510
ethyl 2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 19147874
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzoate
CID 19135337
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
methyl 2-[[6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866797
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 2-[[4-(quinolin-8-ylamino)pyrimidin-2-yl]amino]benzoate
CID 112906500
ethyl 2-[[2-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112906513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate (CID 123452552) is ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate is CCOC(=O)c1ccccc1Nc1cccnc1N.
What is the InChIKey of ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate?
The InChIKey is ANVYWWZOUSVOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-19-14(18)10-6-3-4-7-11(10)17-12-8-5-9-16-13(12)15/h3-9,17H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate?
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate has a molecular weight of 257.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate is sourced from PubChem (CID 123452552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).