ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate

C11H15N3O3 — CID 43243884

IUPACethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(=O)NC)nc1
InChIInChI=1S/C11H15N3O3/c1-3-17-11(16)8-4-5-9(13-6-8)14-7-10(15)12-2/h4-6H,3,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyAZPGSCVGMUISJB-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.42
Rot. Bonds5

About ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate

ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate (PubChem CID 43243884) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
PubChem CID43243884
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(=O)NC)nc1
InChIInChI=1S/C11H15N3O3/c1-3-17-11(16)8-4-5-9(13-6-8)14-7-10(15)12-2/h4-6H,3,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyAZPGSCVGMUISJB-UHFFFAOYSA-N
XLogP0.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate (CID 43243884) is ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC(=O)NC)nc1.
What is the InChIKey of ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate?
The InChIKey is AZPGSCVGMUISJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-17-11(16)8-4-5-9(13-6-8)14-7-10(15)12-2/h4-6H,3,7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate?
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 43243884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).