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

C12H18N2O2 — CID 15421689

IUPACethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate
SMILESCCNc1nc(C)cc(C)c1C(=O)OCC
InChIInChI=1S/C12H18N2O2/c1-5-13-11-10(12(15)16-6-2)8(3)7-9(4)14-11/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyGTPGKGMGNMGSOC-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.31
Rot. Bonds4

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

ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate (PubChem CID 15421689) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate
PubChem CID15421689
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate
SMILESCCNc1nc(C)cc(C)c1C(=O)OCC
InChIInChI=1S/C12H18N2O2/c1-5-13-11-10(12(15)16-6-2)8(3)7-9(4)14-11/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyGTPGKGMGNMGSOC-UHFFFAOYSA-N
XLogP2.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate (CID 15421689) is ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate is CCNc1nc(C)cc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate?
The InChIKey is GTPGKGMGNMGSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-13-11-10(12(15)16-6-2)8(3)7-9(4)14-11/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate?
ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 15421689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).