ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride

C16H27ClN2O3 — CID 3058508

IUPACethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C)cc(OCCN(CC)CC)nc1C.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-6-18(7-2)9-10-21-14-11-12(4)15(13(5)17-14)16(19)20-8-3;/h11H,6-10H2,1-5H3;1H
InChIKeyYZFHJRXAUZNALA-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.02
Rot. Bonds8

About ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride

ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride (PubChem CID 3058508) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride
PubChem CID3058508
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Nameethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C)cc(OCCN(CC)CC)nc1C.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-6-18(7-2)9-10-21-14-11-12(4)15(13(5)17-14)16(19)20-8-3;/h11H,6-10H2,1-5H3;1H
InChIKeyYZFHJRXAUZNALA-UHFFFAOYSA-N
XLogP3.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride (CID 3058508) is ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride is CCOC(=O)c1c(C)cc(OCCN(CC)CC)nc1C.Cl.
What is the InChIKey of ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride?
The InChIKey is YZFHJRXAUZNALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-6-18(7-2)9-10-21-14-11-12(4)15(13(5)17-14)16(19)20-8-3;/h11H,6-10H2,1-5H3;1H.
What are the key properties of ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride?
ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 3058508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).