2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide

C12H15N3O3 — CID 70098380

IUPAC2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide
SMILESCNC(=O)c1nc(C2CCCO2)ccc1C(N)=O
InChIInChI=1S/C12H15N3O3/c1-14-12(17)10-7(11(13)16)4-5-8(15-10)9-3-2-6-18-9/h4-5,9H,2-3,6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyTWNSGCQLCINLJU-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.39
Rot. Bonds3

About 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide

2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide (PubChem CID 70098380) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide
PubChem CID70098380
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide
SMILESCNC(=O)c1nc(C2CCCO2)ccc1C(N)=O
InChIInChI=1S/C12H15N3O3/c1-14-12(17)10-7(11(13)16)4-5-8(15-10)9-3-2-6-18-9/h4-5,9H,2-3,6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyTWNSGCQLCINLJU-UHFFFAOYSA-N
XLogP0.39
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide?
The IUPAC name of 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide (CID 70098380) is 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide?
The canonical SMILES for 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide is CNC(=O)c1nc(C2CCCO2)ccc1C(N)=O.
What is the InChIKey of 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide?
The InChIKey is TWNSGCQLCINLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-14-12(17)10-7(11(13)16)4-5-8(15-10)9-3-2-6-18-9/h4-5,9H,2-3,6H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide?
2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-(oxolan-2-yl)pyridine-2,3-dicarboxamide is sourced from PubChem (CID 70098380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).