2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide

C14H19FN2O — CID 107362833

IUPAC2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(N(C)C(=O)c2cccnc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-10-5-7-11(8-6-10)17(2)14(18)12-4-3-9-16-13(12)15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMMDCCJBUPWFNLO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.87
Rot. Bonds2

About 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide

2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 107362833) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID107362833
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCC(N(C)C(=O)c2cccnc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-10-5-7-11(8-6-10)17(2)14(18)12-4-3-9-16-13(12)15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMMDCCJBUPWFNLO-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
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 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide (CID 107362833) is 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide is CC1CCC(N(C)C(=O)c2cccnc2F)CC1.
What is the InChIKey of 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is MMDCCJBUPWFNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-5-7-11(8-6-10)17(2)14(18)12-4-3-9-16-13(12)15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 107362833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).