ethyl 2-anilino-6-ethoxypyridine-3-carboxylate

C16H18N2O3 — CID 162752627

IUPACethyl 2-anilino-6-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC)nc1Nc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-3-20-14-11-10-13(16(19)21-4-2)15(18-14)17-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyZDNATAGOEKAXLM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.40
Rot. Bonds6

About ethyl 2-anilino-6-ethoxypyridine-3-carboxylate

ethyl 2-anilino-6-ethoxypyridine-3-carboxylate (PubChem CID 162752627) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-anilino-6-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-6-ethoxypyridine-3-carboxylate
PubChem CID162752627
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-anilino-6-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC)nc1Nc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-3-20-14-11-10-13(16(19)21-4-2)15(18-14)17-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyZDNATAGOEKAXLM-UHFFFAOYSA-N
XLogP3.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
CID 144539371
1-(2-anilino-6-methyl-3-pyridinyl)propan-1-one
CID 71217389
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
ethyl 4-anilino-2-chloro-6-methylpyrimidine-5-carboxylate
CID 89416676
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
ethyl 4-anilino-2-[2-(cyclopropylsulfonylamino)ethylamino]pyrimidine-5-carboxylate
CID 169452347
ethyl 2-anilino-4-(4-fluorophenyl)pyrimidine-5-carboxylate
CID 12690152
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
ethane;ethyl 4-(3-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 144591369
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
CID 20554387

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-6-ethoxypyridine-3-carboxylate?
The IUPAC name of ethyl 2-anilino-6-ethoxypyridine-3-carboxylate (CID 162752627) is ethyl 2-anilino-6-ethoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-anilino-6-ethoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 2-anilino-6-ethoxypyridine-3-carboxylate is CCOC(=O)c1ccc(OCC)nc1Nc1ccccc1.
What is the InChIKey of ethyl 2-anilino-6-ethoxypyridine-3-carboxylate?
The InChIKey is ZDNATAGOEKAXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-20-14-11-10-13(16(19)21-4-2)15(18-14)17-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-anilino-6-ethoxypyridine-3-carboxylate?
ethyl 2-anilino-6-ethoxypyridine-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-6-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 162752627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).