N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide

C17H21FN2O — CID 115497458

IUPACN-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(F)n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H21FN2O/c1-20(17(21)14-3-2-4-15(18)19-14)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16H,5-9H2,1H3
InChIKeyZYXNOYCGWITAHH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.12
Rot. Bonds2

About N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide

N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 115497458) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID115497458
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(F)n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H21FN2O/c1-20(17(21)14-3-2-4-15(18)19-14)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16H,5-9H2,1H3
InChIKeyZYXNOYCGWITAHH-UHFFFAOYSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.12
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 N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide (CID 115497458) is N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide is CN(C(=O)c1cccc(F)n1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is ZYXNOYCGWITAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-20(17(21)14-3-2-4-15(18)19-14)16-12-6-10-5-11(8-12)9-13(16)7-10/h2-4,10-13,16H,5-9H2,1H3.
What are the key properties of N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide?
N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115497458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).