ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate

C16H19N3O2 — CID 766509

IUPACethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccccc2N)cc(C)nc1C
InChIInChI=1S/C16H19N3O2/c1-4-21-16(20)15-11(3)18-10(2)9-14(15)19-13-8-6-5-7-12(13)17/h5-9H,4,17H2,1-3H3,(H,18,19)
InChIKeyVWXGPJLIJVFVGY-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.20
Rot. Bonds4

About ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate

ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 766509) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate
PubChem CID766509
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccccc2N)cc(C)nc1C
InChIInChI=1S/C16H19N3O2/c1-4-21-16(20)15-11(3)18-10(2)9-14(15)19-13-8-6-5-7-12(13)17/h5-9H,4,17H2,1-3H3,(H,18,19)
InChIKeyVWXGPJLIJVFVGY-UHFFFAOYSA-N
XLogP3.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate (CID 766509) is ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1c(Nc2ccccc2N)cc(C)nc1C.
What is the InChIKey of ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is VWXGPJLIJVFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-21-16(20)15-11(3)18-10(2)9-14(15)19-13-8-6-5-7-12(13)17/h5-9H,4,17H2,1-3H3,(H,18,19).
What are the key properties of ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate?
ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminoanilino)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 766509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).