ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate

C17H21N3O2 — CID 156541037

IUPACethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Nc1ccc(-c2cccc(N)n2)cc1
InChIInChI=1S/C17H21N3O2/c1-4-22-16(21)17(2,3)20-13-10-8-12(9-11-13)14-6-5-7-15(18)19-14/h5-11,20H,4H2,1-3H3,(H2,18,19)
InChIKeyRLWWEPBXLZMSGN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.08
Rot. Bonds5

About ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate

ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate (PubChem CID 156541037) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate
PubChem CID156541037
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nameethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Nc1ccc(-c2cccc(N)n2)cc1
InChIInChI=1S/C17H21N3O2/c1-4-22-16(21)17(2,3)20-13-10-8-12(9-11-13)14-6-5-7-15(18)19-14/h5-11,20H,4H2,1-3H3,(H2,18,19)
InChIKeyRLWWEPBXLZMSGN-UHFFFAOYSA-N
XLogP3.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-2-[4-(2-trimethylsilylethynyl)anilino]propanoate
CID 156809133
ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate
CID 143723978
ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
CID 115128693
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide
CID 59166205
ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate
CID 140766864
ethyl 4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]benzoate
CID 23623126
2-trimethylsilyloxyethyl 2-anilino-2-methylpropanoate
CID 122215971
ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
CID 23437677
ethyl (2S)-2-(4-methoxyanilino)-2-methylpent-4-enoate
CID 24867811
ethyl 2-oxo-2-[(6-phenyl-2-pyridinyl)amino]acetate
CID 110481902
ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate
CID 54890637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate (CID 156541037) is ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate is CCOC(=O)C(C)(C)Nc1ccc(-c2cccc(N)n2)cc1.
What is the InChIKey of ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate?
The InChIKey is RLWWEPBXLZMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-22-16(21)17(2,3)20-13-10-8-12(9-11-13)14-6-5-7-15(18)19-14/h5-11,20H,4H2,1-3H3,(H2,18,19).
What are the key properties of ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate?
ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate has a molecular weight of 299.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate is sourced from PubChem (CID 156541037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).