ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate

C16H18N2O2 — CID 14003689

IUPACethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate
SMILESCCNc1nc(C(=O)OCC)ccc1-c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-3-17-15-13(12-8-6-5-7-9-12)10-11-14(18-15)16(19)20-4-2/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyLQBJQXXPZRDRKF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.36
Rot. Bonds5

About ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate

ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate (PubChem CID 14003689) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate
PubChem CID14003689
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate
SMILESCCNc1nc(C(=O)OCC)ccc1-c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-3-17-15-13(12-8-6-5-7-9-12)10-11-14(18-15)16(19)20-4-2/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyLQBJQXXPZRDRKF-UHFFFAOYSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-piperazin-1-yl-quinoline-4-carboxylic acid ethyl ester
CID 11266542
N-(6-methylpyridin-2-yl)-1-oxo-1H-isochromene-3-carboxamide
CID 3244159
Methyl 3-(4-fluorophenyl)-1-methyl-5-(piperidin-4-ylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419782
Methyl 5-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419787
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperidin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419788
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419791
3-(4-Fluorophenyl)-1-methyl-5-(1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44419820
Ethyl 1-methyl-3-(4-methylphenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419824
Ethyl 3-(3,5-difluorophenyl)-1-methyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419829
5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
Ethyl 6-(butylamino)-5-cyano-2-phenylnicotinate
CID 3393240
Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate
CID 3644194

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate (CID 14003689) is ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate is CCNc1nc(C(=O)OCC)ccc1-c1ccccc1.
What is the InChIKey of ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate?
The InChIKey is LQBJQXXPZRDRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-17-15-13(12-8-6-5-7-9-12)10-11-14(18-15)16(19)20-4-2/h5-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate?
ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(ethylamino)-5-phenylpyridine-2-carboxylate is sourced from PubChem (CID 14003689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).