2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

C20H28F2N2O2 — CID 178021620

IUPAC2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCn1cc(NC(=O)C2CC(F)(F)CCC2C2CCCCCC2)ccc1=O
InChIInChI=1S/C20H28F2N2O2/c1-24-13-15(8-9-18(24)25)23-19(26)17-12-20(21,22)11-10-16(17)14-6-4-2-3-5-7-14/h8-9,13-14,16-17H,2-7,10-12H2,1H3,(H,23,26)
InChIKeyAPUZLEUUXZRIRJ-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.35
Rot. Bonds3

About 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 178021620) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID178021620
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCn1cc(NC(=O)C2CC(F)(F)CCC2C2CCCCCC2)ccc1=O
InChIInChI=1S/C20H28F2N2O2/c1-24-13-15(8-9-18(24)25)23-19(26)17-12-20(21,22)11-10-16(17)14-6-4-2-3-5-7-14/h8-9,13-14,16-17H,2-7,10-12H2,1H3,(H,23,26)
InChIKeyAPUZLEUUXZRIRJ-UHFFFAOYSA-N
XLogP4.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (CID 178021620) is 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is Cn1cc(NC(=O)C2CC(F)(F)CCC2C2CCCCCC2)ccc1=O.
What is the InChIKey of 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is APUZLEUUXZRIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-24-13-15(8-9-18(24)25)23-19(26)17-12-20(21,22)11-10-16(17)14-6-4-2-3-5-7-14/h8-9,13-14,16-17H,2-7,10-12H2,1H3,(H,23,26).
What are the key properties of 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5,5-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 178021620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).