[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate

C13H18N2O4 — CID 55443956

IUPAC[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(OC)nc1
InChIInChI=1S/C13H18N2O4/c1-4-15(5-2)12(16)9-19-13(17)10-6-7-11(18-3)14-8-10/h6-8H,4-5,9H2,1-3H3
InChIKeyQTBVQTFRPKZPMO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.12
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate

[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate (PubChem CID 55443956) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
PubChem CID55443956
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(OC)nc1
InChIInChI=1S/C13H18N2O4/c1-4-15(5-2)12(16)9-19-13(17)10-6-7-11(18-3)14-8-10/h6-8H,4-5,9H2,1-3H3
InChIKeyQTBVQTFRPKZPMO-UHFFFAOYSA-N
XLogP1.12
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18286834
[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133527
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18169821
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 9452060
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011208
[2-(diethylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate
CID 55102737
(2-ethylphenyl) 6-methoxypyridine-3-carboxylate
CID 78826820
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-methoxypyridine-3-carboxamide
CID 24546502
[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 55308373
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate
CID 55443983
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 47013899

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate (CID 55443956) is [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate is CCN(CC)C(=O)COC(=O)c1ccc(OC)nc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The InChIKey is QTBVQTFRPKZPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-15(5-2)12(16)9-19-13(17)10-6-7-11(18-3)14-8-10/h6-8H,4-5,9H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 55443956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).