N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide

C18H26N2O3 — CID 102553817

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide (PubChem CID 102553817) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
• PubChem CID: 102553817
• Molecular Formula: C18H26N2O3
• Molecular Weight: 318.42 g/mol
• Exact Mass: 318.19
• IUPAC Name: N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
• SMILES: CC(C)c1cc(C(=O)N(C)C2C3CCOC3C2(C)C)cc(=O)[nH]1
• InChI: InChI=1S/C18H26N2O3/c1-10(2)13-8-11(9-14(21)19-13)17(22)20(5)15-12-6-7-23-16(12)18(15,3)4/h8-10,12,15-16H,6-7H2,1-5H3,(H,19,21)
• InChIKey: CNJADAPHRFICKT-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 62.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.42
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?

The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide (CID 102553817) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide.

What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?

The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide is CC(C)c1cc(C(=O)N(C)C2C3CCOC3C2(C)C)cc(=O)[nH]1.

What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?

The InChIKey is CNJADAPHRFICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-10(2)13-8-11(9-14(21)19-13)17(22)20(5)15-12-6-7-23-16(12)18(15,3)4/h8-10,12,15-16H,6-7H2,1-5H3,(H,19,21).

What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 102553817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).