propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride

C15H25ClN2O3 — CID 3058506

IUPACpropan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)OC(C)C)cn1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-5-17(6-2)9-10-19-14-8-7-13(11-16-14)15(18)20-12(3)4;/h7-8,11-12H,5-6,9-10H2,1-4H3;1H
InChIKeyIASKUOSODMMXMQ-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.79
Rot. Bonds8

About propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride

propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride (PubChem CID 3058506) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride
PubChem CID3058506
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Namepropan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)OC(C)C)cn1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-5-17(6-2)9-10-19-14-8-7-13(11-16-14)15(18)20-12(3)4;/h7-8,11-12H,5-6,9-10H2,1-4H3;1H
InChIKeyIASKUOSODMMXMQ-UHFFFAOYSA-N
XLogP2.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268981
methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008
6-(3-methylbutoxy)pyridine-3-carboxylic acid
CID 22219927
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone
CID 13362185
propan-2-yl 4-ethylbenzoate
CID 583760
1-(4-decylphenyl)propyl 6-hexoxypyridine-3-carboxylate
CID 54438847
6-butoxypyridine-3-carboxamide
CID 506622
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
propan-2-yl 4-(dipropylamino)benzoate
CID 139770172
2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate
CID 27483

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride (CID 3058506) is propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride is CCN(CC)CCOc1ccc(C(=O)OC(C)C)cn1.Cl.
What is the InChIKey of propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride?
The InChIKey is IASKUOSODMMXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-5-17(6-2)9-10-19-14-8-7-13(11-16-14)15(18)20-12(3)4;/h7-8,11-12H,5-6,9-10H2,1-4H3;1H.
What are the key properties of propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride?
propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 3058506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).