1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide

C11H16N2O3 — CID 70972243

IUPAC1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-16-7-6-13-8-9(11(15)12-2)4-5-10(13)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,15)
InChIKeyCPQRDNNFPWYTGW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.24
Rot. Bonds5

About 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide

1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 70972243) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID70972243
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-16-7-6-13-8-9(11(15)12-2)4-5-10(13)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,15)
InChIKeyCPQRDNNFPWYTGW-UHFFFAOYSA-N
XLogP0.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide (CID 70972243) is 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide is CCOCCn1cc(C(=O)NC)ccc1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is CPQRDNNFPWYTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-7-6-13-8-9(11(15)12-2)4-5-10(13)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,15).
What are the key properties of 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide?
1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 70972243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).