[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone

C16H20N2O2 — CID 98780270

IUPAC[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1C[C@H]2CC[C@H]1[C@H]2OCC1CC1
InChIInChI=1S/C16H20N2O2/c19-16(12-2-1-7-17-8-12)18-9-13-5-6-14(18)15(13)20-10-11-3-4-11/h1-2,7-8,11,13-15H,3-6,9-10H2/t13-,14+,15+/m1/s1
InChIKeyBYINGTYCNWPJFB-ILXRZTDVSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds4

About [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone

[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone (PubChem CID 98780270) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
PubChem CID98780270
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1C[C@H]2CC[C@H]1[C@H]2OCC1CC1
InChIInChI=1S/C16H20N2O2/c19-16(12-2-1-7-17-8-12)18-9-13-5-6-14(18)15(13)20-10-11-3-4-11/h1-2,7-8,11,13-15H,3-6,9-10H2/t13-,14+,15+/m1/s1
InChIKeyBYINGTYCNWPJFB-ILXRZTDVSA-N
XLogP2.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[(3R,3aS,7aR)-3-(cyclopropylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155860527
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124793722
[(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone
CID 124828123
[(1R,4S,7R)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridazin-4-ylmethanone
CID 124802546
2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]octane-5-carboxylic acid
CID 117050546
[(1R,6R,9R)-9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridin-3-ylmethanone
CID 98811903
[5-(2-aminoethyl)-2-azabicyclo[2.2.2]octan-2-yl]-pyridin-3-ylmethanone
CID 117050463
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124793902
1-[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-2-(4-fluorophenyl)ethanone
CID 98780280
pyridin-2-yl-[(1S,4R,7R)-7-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 98780312
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(pyridine-3-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
CID 54658966

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone (CID 98780270) is [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1C[C@H]2CC[C@H]1[C@H]2OCC1CC1.
What is the InChIKey of [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone?
The InChIKey is BYINGTYCNWPJFB-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(12-2-1-7-17-8-12)18-9-13-5-6-14(18)15(13)20-10-11-3-4-11/h1-2,7-8,11,13-15H,3-6,9-10H2/t13-,14+,15+/m1/s1.
What are the key properties of [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone?
[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone has a molecular weight of 272.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 98780270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).