N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide

C24H26FN3O2 — CID 58358675

IUPACN-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(CC(CC(=O)c5cccc(F)n5)(C4)C2)C3)n1
InChIInChI=1S/C24H26FN3O2/c1-15-4-2-6-19(26-15)22(30)28-24-11-16-8-17(12-24)10-23(9-16,14-24)13-20(29)18-5-3-7-21(25)27-18/h2-7,16-17H,8-14H2,1H3,(H,28,30)
InChIKeyLEORTYMQJZYNFJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.27
Rot. Bonds5

About N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide

N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide (PubChem CID 58358675) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
PubChem CID58358675
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(CC(CC(=O)c5cccc(F)n5)(C4)C2)C3)n1
InChIInChI=1S/C24H26FN3O2/c1-15-4-2-6-19(26-15)22(30)28-24-11-16-8-17(12-24)10-23(9-16,14-24)13-20(29)18-5-3-7-21(25)27-18/h2-7,16-17H,8-14H2,1H3,(H,28,30)
InChIKeyLEORTYMQJZYNFJ-UHFFFAOYSA-N
XLogP4.27
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide (CID 58358675) is N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(CC(CC(=O)c5cccc(F)n5)(C4)C2)C3)n1.
What is the InChIKey of N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The InChIKey is LEORTYMQJZYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-15-4-2-6-19(26-15)22(30)28-24-11-16-8-17(12-24)10-23(9-16,14-24)13-20(29)18-5-3-7-21(25)27-18/h2-7,16-17H,8-14H2,1H3,(H,28,30).
What are the key properties of N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide?
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 58358675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).