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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Related Compounds

ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate
CID 90644881
Diethyl 4-(3-aminophenyl)-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 2229373
Ethyl 4-amino-5-fluoro-2-methylquinoline-3-carboxylate
CID 11118402
Dimethyl 4-{3-[(methoxycarbonyl)amino]phenyl}-2,6-dimethylpyridine-3,5-dicarboxylate
CID 1511235
Ethyl 5-{[cyclohexyl(methyl)carbamoyl]amino}-2,6-dimethylpyridine-3-carboxylate
CID 9459724
Dimethyl 2,6-dimethyl-4-[3-(propionylamino)phenyl]-3,5-pyridinedicarboxylate
CID 1519307
6H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,4,5-trimethyl-7-phenyl-, ethyl ester
CID 5745490
Ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746249
Ethyl 5-((ethoxycarbonyl)amino)-2,6-dimethylnicotinate
CID 746257
Ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate
CID 2471449
Ethyl 4-{[4-(ethoxycarbonyl)phenyl]amino}-2,6-dimethylnicotinate hydrochloride
CID 2868863
Ethyl 5-[(cyclohexylcarbamoyl)amino]-2,6-dimethylpyridine-3-carboxylate
CID 16311607

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).