5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide

C11H17N3O3 — CID 176972469

IUPAC5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCNCc1cc(C(N)=O)c(=O)n(C)c1
InChIInChI=1S/C11H17N3O3/c1-14-7-8(6-13-3-4-17-2)5-9(10(12)15)11(14)16/h5,7,13H,3-4,6H2,1-2H3,(H2,12,15)
InChIKeyGIPJDKQSQIRJRD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.78
Rot. Bonds6

About 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide

5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 176972469) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID176972469
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCNCc1cc(C(N)=O)c(=O)n(C)c1
InChIInChI=1S/C11H17N3O3/c1-14-7-8(6-13-3-4-17-2)5-9(10(12)15)11(14)16/h5,7,13H,3-4,6H2,1-2H3,(H2,12,15)
InChIKeyGIPJDKQSQIRJRD-UHFFFAOYSA-N
XLogP-0.78
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 176972469) is 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide is COCCNCc1cc(C(N)=O)c(=O)n(C)c1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GIPJDKQSQIRJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14-7-8(6-13-3-4-17-2)5-9(10(12)15)11(14)16/h5,7,13H,3-4,6H2,1-2H3,(H2,12,15).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 176972469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).