3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide

C12H14F2N2O2 — CID 177193148

IUPAC3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)C1CCCC(F)(F)C1
InChIInChI=1S/C12H14F2N2O2/c13-12(14)5-1-2-8(6-12)11(18)16-9-3-4-10(17)15-7-9/h3-4,7-8H,1-2,5-6H2,(H,15,17)(H,16,18)
InChIKeyYPKLJXIDTCRYRP-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.14
Rot. Bonds2

About 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide

3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide (PubChem CID 177193148) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
PubChem CID177193148
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)C1CCCC(F)(F)C1
InChIInChI=1S/C12H14F2N2O2/c13-12(14)5-1-2-8(6-12)11(18)16-9-3-4-10(17)15-7-9/h3-4,7-8H,1-2,5-6H2,(H,15,17)(H,16,18)
InChIKeyYPKLJXIDTCRYRP-UHFFFAOYSA-N
XLogP2.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide (CID 177193148) is 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc(=O)[nH]c1)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is YPKLJXIDTCRYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-12(14)5-1-2-8(6-12)11(18)16-9-3-4-10(17)15-7-9/h3-4,7-8H,1-2,5-6H2,(H,15,17)(H,16,18).
What are the key properties of 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide?
3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 256.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 177193148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).