methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate

C11H14N2O3 — CID 47150722

IUPACmethyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C11H14N2O3/c1-8-3-4-9(12-7-8)13-10(14)5-6-11(15)16-2/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyQLXMVHORDVUUAO-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.28
Rot. Bonds4

About methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate

methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate (PubChem CID 47150722) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
PubChem CID47150722
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C11H14N2O3/c1-8-3-4-9(12-7-8)13-10(14)5-6-11(15)16-2/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyQLXMVHORDVUUAO-UHFFFAOYSA-N
XLogP1.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate
CID 89444199
methyl 4-[[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]amino]-4-oxobutanoate
CID 131735591
ethane;(E)-3-[6-[(4-methoxy-4-oxobutanoyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 144568230
N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106816
methyl 4-[[5-[(E)-3-nitroso-3-oxoprop-1-enyl]-2-pyridinyl]amino]-4-oxobutanoate
CID 90061168
methyl 4-[(5-acetylpyrazin-2-yl)amino]-4-oxobutanoate
CID 89443941

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate (CID 47150722) is methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1ccc(C)cn1.
What is the InChIKey of methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate?
The InChIKey is QLXMVHORDVUUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-3-4-9(12-7-8)13-10(14)5-6-11(15)16-2/h3-4,7H,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate?
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate has a molecular weight of 222.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate is sourced from PubChem (CID 47150722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).