N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide

C17H20F2N2O2 — CID 156609395

IUPACN-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
SMILESO=C(NC1C2CCOC2C1C1CCCC1)c1ncc(F)cc1F
InChIInChI=1S/C17H20F2N2O2/c18-10-7-12(19)15(20-8-10)17(22)21-14-11-5-6-23-16(11)13(14)9-3-1-2-4-9/h7-9,11,13-14,16H,1-6H2,(H,21,22)
InChIKeyFXZFOEKSHYDFDK-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.68
Rot. Bonds3

About N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide

N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide (PubChem CID 156609395) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
PubChem CID156609395
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
SMILESO=C(NC1C2CCOC2C1C1CCCC1)c1ncc(F)cc1F
InChIInChI=1S/C17H20F2N2O2/c18-10-7-12(19)15(20-8-10)17(22)21-14-11-5-6-23-16(11)13(14)9-3-1-2-4-9/h7-9,11,13-14,16H,1-6H2,(H,21,22)
InChIKeyFXZFOEKSHYDFDK-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
CID 91770801
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91762510
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide
CID 133264832
4-acetyl-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91790884
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 91772237
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91794793
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 156609400
N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 133267354
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 133260460
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide
CID 91776792
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
CID 128989734
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 91793747

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide (CID 156609395) is N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide is O=C(NC1C2CCOC2C1C1CCCC1)c1ncc(F)cc1F.
What is the InChIKey of N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide?
The InChIKey is FXZFOEKSHYDFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-10-7-12(19)15(20-8-10)17(22)21-14-11-5-6-23-16(11)13(14)9-3-1-2-4-9/h7-9,11,13-14,16H,1-6H2,(H,21,22).
What are the key properties of N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide?
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 156609395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).