6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide

C14H19FN2O — CID 115497960

IUPAC6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide
SMILESCC1CCCCCC1NC(=O)c1cccc(F)n1
InChIInChI=1S/C14H19FN2O/c1-10-6-3-2-4-7-11(10)17-14(18)12-8-5-9-13(15)16-12/h5,8-11H,2-4,6-7H2,1H3,(H,17,18)
InChIKeyZOLBALIAVZOFCE-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.92
Rot. Bonds2

About 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide

6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide (PubChem CID 115497960) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide
PubChem CID115497960
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide
SMILESCC1CCCCCC1NC(=O)c1cccc(F)n1
InChIInChI=1S/C14H19FN2O/c1-10-6-3-2-4-7-11(10)17-14(18)12-8-5-9-13(15)16-12/h5,8-11H,2-4,6-7H2,1H3,(H,17,18)
InChIKeyZOLBALIAVZOFCE-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.92
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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Related Compounds

6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82726069
N-(2,2-dimethylcyclopentyl)-6-fluoropyridine-2-carboxamide
CID 115498008
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
3-hydroxy-2-methyl-N-(2-methylcycloheptyl)benzamide
CID 82829354
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142
6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
CID 90509274

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide (CID 115497960) is 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide is CC1CCCCCC1NC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide?
The InChIKey is ZOLBALIAVZOFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-6-3-2-4-7-11(10)17-14(18)12-8-5-9-13(15)16-12/h5,8-11H,2-4,6-7H2,1H3,(H,17,18).
What are the key properties of 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide?
6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide is sourced from PubChem (CID 115497960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).