6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C21H24FN3O — CID 126463249

IUPAC6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccncc1)C1CC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H24FN3O/c22-18-3-1-17(2-4-18)15-25-11-7-21(8-12-25)13-19(21)20(26)24-14-16-5-9-23-10-6-16/h1-6,9-10,19H,7-8,11-15H2,(H,24,26)
InChIKeyUQKJNGGYYQJCBL-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.14
Rot. Bonds5

About 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126463249) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126463249
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccncc1)C1CC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H24FN3O/c22-18-3-1-17(2-4-18)15-25-11-7-21(8-12-25)13-19(21)20(26)24-14-16-5-9-23-10-6-16/h1-6,9-10,19H,7-8,11-15H2,(H,24,26)
InChIKeyUQKJNGGYYQJCBL-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
6-[(3-phenoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126466559
N-benzyl-6-[(2,3,6-trifluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462966
N-benzyl-6-[(3-chloro-4-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118754130
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
5-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131638456
6-[[4-(2-methylphenyl)phenyl]methyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45199739
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
(2R)-N-benzyl-6-[4-(piperidin-1-ylmethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42210163
(2R)-6-[4-(4-fluorophenyl)benzoyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26282918
(2S,3S)-5-[2-(4-fluorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492708

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126463249) is 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCc1ccncc1)C1CC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is UQKJNGGYYQJCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-18-3-1-17(2-4-18)15-25-11-7-21(8-12-25)13-19(21)20(26)24-14-16-5-9-23-10-6-16/h1-6,9-10,19H,7-8,11-15H2,(H,24,26).
What are the key properties of 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126463249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).