(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone

C13H15F2N3O — CID 154852886

IUPAC(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
SMILESNc1cc(C(=O)N2CCC3(CC2)CC3(F)F)ccn1
InChIInChI=1S/C13H15F2N3O/c14-13(15)8-12(13)2-5-18(6-3-12)11(19)9-1-4-17-10(16)7-9/h1,4,7H,2-3,5-6,8H2,(H2,16,17)
InChIKeyXBJOBGIMQJLRAC-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.93
Rot. Bonds1

About (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone

(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone (PubChem CID 154852886) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
PubChem CID154852886
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
SMILESNc1cc(C(=O)N2CCC3(CC2)CC3(F)F)ccn1
InChIInChI=1S/C13H15F2N3O/c14-13(15)8-12(13)2-5-18(6-3-12)11(19)9-1-4-17-10(16)7-9/h1,4,7H,2-3,5-6,8H2,(H2,16,17)
InChIKeyXBJOBGIMQJLRAC-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone with MolForge

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Related Compounds

(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone
CID 123428768
2,1,3-benzothiadiazol-5-yl-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
CID 131702364
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
CID 167885756
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
CID 156532889
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 131704030
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62776991
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone?
The IUPAC name of (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone (CID 154852886) is (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone is Nc1cc(C(=O)N2CCC3(CC2)CC3(F)F)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone?
The InChIKey is XBJOBGIMQJLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c14-13(15)8-12(13)2-5-18(6-3-12)11(19)9-1-4-17-10(16)7-9/h1,4,7H,2-3,5-6,8H2,(H2,16,17).
What are the key properties of (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone?
(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone has a molecular weight of 267.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone is sourced from PubChem (CID 154852886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).