methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate

C11H14N2O4 — CID 103696316

IUPACmethyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C11H14N2O4/c1-7-5-9(14)8(6-13-7)11(16)12-4-3-10(15)17-2/h5-6H,3-4H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyQNQALZLATREXPZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.02
Rot. Bonds4

About methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate

methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 103696316) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID103696316
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C11H14N2O4/c1-7-5-9(14)8(6-13-7)11(16)12-4-3-10(15)17-2/h5-6H,3-4H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyQNQALZLATREXPZ-UHFFFAOYSA-N
XLogP-0.02
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696440
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
6-methyl-4-oxo-N-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696535
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 107299631
6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103718186
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717570
6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 103717467

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 103696316) is methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is QNQALZLATREXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-5-9(14)8(6-13-7)11(16)12-4-3-10(15)17-2/h5-6H,3-4H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 238.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103696316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).