N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide

C16H20FN3O — CID 67480683

IUPACN-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
SMILESNC12CC3CC(C1)CC(NC(=O)c1cccc(F)n1)(C3)C2
InChIInChI=1S/C16H20FN3O/c17-13-3-1-2-12(19-13)14(21)20-16-7-10-4-11(8-16)6-15(18,5-10)9-16/h1-3,10-11H,4-9,18H2,(H,20,21)
InChIKeyBGESXPVOGZLNSD-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.00
Rot. Bonds2

About N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide

N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide (PubChem CID 67480683) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
PubChem CID67480683
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
SMILESNC12CC3CC(C1)CC(NC(=O)c1cccc(F)n1)(C3)C2
InChIInChI=1S/C16H20FN3O/c17-13-3-1-2-12(19-13)14(21)20-16-7-10-4-11(8-16)6-15(18,5-10)9-16/h1-3,10-11H,4-9,18H2,(H,20,21)
InChIKeyBGESXPVOGZLNSD-UHFFFAOYSA-N
XLogP2.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide (CID 67480683) is N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide is NC12CC3CC(C1)CC(NC(=O)c1cccc(F)n1)(C3)C2.
What is the InChIKey of N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is BGESXPVOGZLNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-3-1-2-12(19-13)14(21)20-16-7-10-4-11(8-16)6-15(18,5-10)9-16/h1-3,10-11H,4-9,18H2,(H,20,21).
What are the key properties of N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide?
N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 67480683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).