N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide

C12H14F2N2O2 — CID 121021858

IUPACN-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14F2N2O2/c13-12(14)5-3-9(4-6-12)16-11(18)8-1-2-10(17)15-7-8/h1-2,7,9H,3-6H2,(H,15,17)(H,16,18)
InChIKeyWDPZQFDXQITQGP-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.68
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 121021858) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID121021858
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC NameN-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14F2N2O2/c13-12(14)5-3-9(4-6-12)16-11(18)8-1-2-10(17)15-7-8/h1-2,7,9H,3-6H2,(H,15,17)(H,16,18)
InChIKeyWDPZQFDXQITQGP-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide (CID 121021858) is N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCC(F)(F)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WDPZQFDXQITQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-12(14)5-3-9(4-6-12)16-11(18)8-1-2-10(17)15-7-8/h1-2,7,9H,3-6H2,(H,15,17)(H,16,18).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 256.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121021858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).