N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide

C13H16F2N2O — CID 106829495

IUPACN-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)nc2F)CCCCC1
InChIInChI=1S/C13H16F2N2O/c1-13(7-3-2-4-8-13)12(18)16-9-5-6-10(14)17-11(9)15/h5-6H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyLIVNPZUHDXGLDF-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.27
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide

N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106829495) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106829495
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)nc2F)CCCCC1
InChIInChI=1S/C13H16F2N2O/c1-13(7-3-2-4-8-13)12(18)16-9-5-6-10(14)17-11(9)15/h5-6H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyLIVNPZUHDXGLDF-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide (CID 106829495) is N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2ccc(F)nc2F)CCCCC1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is LIVNPZUHDXGLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-13(7-3-2-4-8-13)12(18)16-9-5-6-10(14)17-11(9)15/h5-6H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide?
N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).