1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide

C10H14N2O4 — CID 174969842

IUPAC1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide
SMILESCOC(Cn1c(C(N)=O)cccc1=O)OC
InChIInChI=1S/C10H14N2O4/c1-15-9(16-2)6-12-7(10(11)14)4-3-5-8(12)13/h3-5,9H,6H2,1-2H3,(H2,11,14)
InChIKeyMSKXRNXBERFEGK-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.43
Rot. Bonds5

About 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide

1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide (PubChem CID 174969842) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide
PubChem CID174969842
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide
SMILESCOC(Cn1c(C(N)=O)cccc1=O)OC
InChIInChI=1S/C10H14N2O4/c1-15-9(16-2)6-12-7(10(11)14)4-3-5-8(12)13/h3-5,9H,6H2,1-2H3,(H2,11,14)
InChIKeyMSKXRNXBERFEGK-UHFFFAOYSA-N
XLogP-0.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide (CID 174969842) is 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide is COC(Cn1c(C(N)=O)cccc1=O)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide?
The InChIKey is MSKXRNXBERFEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-15-9(16-2)6-12-7(10(11)14)4-3-5-8(12)13/h3-5,9H,6H2,1-2H3,(H2,11,14).
What are the key properties of 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide?
1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 174969842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).