ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate

C15H17N3O2 — CID 82061056

IUPACethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-20-15(19)11-4-6-12(7-5-11)18-14-8-10(2)13(16)9-17-14/h4-9H,3,16H2,1-2H3,(H,17,18)
InChIKeyUIIQQEAPOJJNDE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.89
Rot. Bonds4

About ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate

ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate (PubChem CID 82061056) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
PubChem CID82061056
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C15H17N3O2/c1-3-20-15(19)11-4-6-12(7-5-11)18-14-8-10(2)13(16)9-17-14/h4-9H,3,16H2,1-2H3,(H,17,18)
InChIKeyUIIQQEAPOJJNDE-UHFFFAOYSA-N
XLogP2.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate
CID 63214956
ethyl 4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 122281743
2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
ethyl 4-[[6-(3-chloro-4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865962
2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid
CID 82061059
ethyl 4-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]benzoate
CID 53259305
ethyl 4-[[6-(4-cyanoanilino)pyrimidin-4-yl]amino]benzoate
CID 112867089
ethyl 4-[(4,5,7-trimethylquinolin-2-yl)amino]benzoate
CID 800909
ethyl 4-[[6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 112863541
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate (CID 82061056) is ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate is CCOC(=O)c1ccc(Nc2cc(C)c(N)cn2)cc1.
What is the InChIKey of ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate?
The InChIKey is UIIQQEAPOJJNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-15(19)11-4-6-12(7-5-11)18-14-8-10(2)13(16)9-17-14/h4-9H,3,16H2,1-2H3,(H,17,18).
What are the key properties of ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate?
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate has a molecular weight of 271.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate is sourced from PubChem (CID 82061056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).