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

C12H16N2O4 — CID 103337308

IUPACmethyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H16N2O4/c1-3-14(7-5-11(16)18-2)12(17)9-8-13-6-4-10(9)15/h4,6,8H,3,5,7H2,1-2H3,(H,13,15)
InChIKeyQCENAMSXIMWZEQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.40
Rot. Bonds5

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

methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 103337308) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID103337308
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H16N2O4/c1-3-14(7-5-11(16)18-2)12(17)9-8-13-6-4-10(9)15/h4,6,8H,3,5,7H2,1-2H3,(H,13,15)
InChIKeyQCENAMSXIMWZEQ-UHFFFAOYSA-N
XLogP0.40
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 103337308) is methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)c1c[nH]ccc1=O.
What is the InChIKey of methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is QCENAMSXIMWZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-14(7-5-11(16)18-2)12(17)9-8-13-6-4-10(9)15/h4,6,8H,3,5,7H2,1-2H3,(H,13,15).
What are the key properties of methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 252.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103337308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).