N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide

C24H25FN4O — CID 53327244

IUPACN-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(c2nc5ccc(F)cc5[nH]2)(C4)C3)n1
InChIInChI=1S/C24H25FN4O/c1-14-3-2-4-19(26-14)21(30)29-24-11-15-7-16(12-24)10-23(9-15,13-24)22-27-18-6-5-17(25)8-20(18)28-22/h2-6,8,15-16H,7,9-13H2,1H3,(H,27,28)(H,29,30)
InChIKeyBFEVATZDWXGFJU-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.43
Rot. Bonds3

About N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide

N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide (PubChem CID 53327244) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
PubChem CID53327244
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(c2nc5ccc(F)cc5[nH]2)(C4)C3)n1
InChIInChI=1S/C24H25FN4O/c1-14-3-2-4-19(26-14)21(30)29-24-11-15-7-16(12-24)10-23(9-15,13-24)22-27-18-6-5-17(25)8-20(18)28-22/h2-6,8,15-16H,7,9-13H2,1H3,(H,27,28)(H,29,30)
InChIKeyBFEVATZDWXGFJU-UHFFFAOYSA-N
XLogP4.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide (CID 53327244) is N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(C2)CC(c2nc5ccc(F)cc5[nH]2)(C4)C3)n1.
What is the InChIKey of N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide?
The InChIKey is BFEVATZDWXGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-14-3-2-4-19(26-14)21(30)29-24-11-15-7-16(12-24)10-23(9-15,13-24)22-27-18-6-5-17(25)8-20(18)28-22/h2-6,8,15-16H,7,9-13H2,1H3,(H,27,28)(H,29,30).
What are the key properties of N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide?
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 53327244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).