2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide

C14H17N3O3 — CID 131997114

IUPAC2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2C3COCC32)cc(C)n1
InChIInChI=1S/C14H17N3O3/c1-7-3-8(4-11(16-7)14(19)15-2)13(18)17-12-9-5-20-6-10(9)12/h3-4,9-10,12H,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNFDRZADEXYNNFR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.12
Rot. Bonds3

About 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide

2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide (PubChem CID 131997114) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
PubChem CID131997114
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2C3COCC32)cc(C)n1
InChIInChI=1S/C14H17N3O3/c1-7-3-8(4-11(16-7)14(19)15-2)13(18)17-12-9-5-20-6-10(9)12/h3-4,9-10,12H,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNFDRZADEXYNNFR-UHFFFAOYSA-N
XLogP0.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide (CID 131997114) is 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2C3COCC32)cc(C)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide?
The InChIKey is NFDRZADEXYNNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-7-3-8(4-11(16-7)14(19)15-2)13(18)17-12-9-5-20-6-10(9)12/h3-4,9-10,12H,5-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide?
2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 131997114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).