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

C11H15N3O3 — CID 43310600

IUPACethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(=O)NC
InChIInChI=1S/C11H15N3O3/c1-3-17-11(16)8-5-4-6-13-10(8)14-7-9(15)12-2/h4-6H,3,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyBNBSZCJLESPRNQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.42
Rot. Bonds5

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

ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate (PubChem CID 43310600) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
PubChem CID43310600
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(=O)NC
InChIInChI=1S/C11H15N3O3/c1-3-17-11(16)8-5-4-6-13-10(8)14-7-9(15)12-2/h4-6H,3,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyBNBSZCJLESPRNQ-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

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CID 90095757
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ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
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CID 104695493
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
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ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate (CID 43310600) is ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC(=O)NC.
What is the InChIKey of ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate?
The InChIKey is BNBSZCJLESPRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-17-11(16)8-5-4-6-13-10(8)14-7-9(15)12-2/h4-6H,3,7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate?
ethyl 2-[[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 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 43310600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).