ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate

C15H23N3O3 — CID 60926074

IUPACethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCCC(=O)N(CC)CC)nc1
InChIInChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)9-10-16-13-8-7-12(11-17-13)15(20)21-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17)
InChIKeyXELCDEFDODLEQE-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.93
Rot. Bonds8

About ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate

ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate (PubChem CID 60926074) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
PubChem CID60926074
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCCC(=O)N(CC)CC)nc1
InChIInChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)9-10-16-13-8-7-12(11-17-13)15(20)21-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17)
InChIKeyXELCDEFDODLEQE-UHFFFAOYSA-N
XLogP1.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109153832
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
2-[(5-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 113406260

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate (CID 60926074) is ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCCC(=O)N(CC)CC)nc1.
What is the InChIKey of ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate?
The InChIKey is XELCDEFDODLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)9-10-16-13-8-7-12(11-17-13)15(20)21-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17).
What are the key properties of ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate?
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 60926074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).