[(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone

C15H21N3O — CID 124825239

IUPAC[(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone
SMILESCC(C)CN1C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]21
InChIInChI=1S/C15H21N3O/c1-11(2)7-17-8-13-9-18(10-14(13)17)15(19)12-3-5-16-6-4-12/h3-6,11,13-14H,7-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyVGKQIWWCSFBJTP-ZIAGYGMSSA-N
MW259.35 g/mol
LogP1.49
Rot. Bonds3

About [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone

[(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone (PubChem CID 124825239) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone
PubChem CID124825239
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone
SMILESCC(C)CN1C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]21
InChIInChI=1S/C15H21N3O/c1-11(2)7-17-8-13-9-18(10-14(13)17)15(19)12-3-5-16-6-4-12/h3-6,11,13-14H,7-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyVGKQIWWCSFBJTP-ZIAGYGMSSA-N
XLogP1.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

pyridin-4-yl-[(1R,5S)-6-(1H-pyrrol-2-ylmethyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]methanone
CID 98819372
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-pyridin-4-ylmethanone
CID 56864691
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 97031337
pyridin-4-yl-(2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 131646904
2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide
CID 167327659
[(3aR,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 97377099
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone
CID 155508835
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
[2-(6-tert-butylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 146080091
(3aR,6aR)-5-(2-methoxyethyl)-2-(pyridine-4-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401738
3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone
CID 171922173
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone (CID 124825239) is [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone is CC(C)CN1C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]21.
What is the InChIKey of [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone?
The InChIKey is VGKQIWWCSFBJTP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)7-17-8-13-9-18(10-14(13)17)15(19)12-3-5-16-6-4-12/h3-6,11,13-14H,7-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone?
[(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone has a molecular weight of 259.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 124825239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).