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

C14H18N2O2 — CID 124828123

IUPAC[(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone
SMILESCCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccncc1)C2
InChIInChI=1S/C14H18N2O2/c1-2-18-13-11-3-4-12(13)16(9-11)14(17)10-5-7-15-8-6-10/h5-8,11-13H,2-4,9H2,1H3/t11-,12+,13+/m0/s1
InChIKeyCCWPVNHLHLJSGU-YNEHKIRRSA-N
MW246.31 g/mol
LogP1.72
Rot. Bonds3

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

[(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone (PubChem CID 124828123) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone
PubChem CID124828123
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone
SMILESCCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccncc1)C2
InChIInChI=1S/C14H18N2O2/c1-2-18-13-11-3-4-12(13)16(9-11)14(17)10-5-7-15-8-6-10/h5-8,11-13H,2-4,9H2,1H3/t11-,12+,13+/m0/s1
InChIKeyCCWPVNHLHLJSGU-YNEHKIRRSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(1R,4S,7R)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridazin-4-ylmethanone
CID 124802546
[(1S,4R,7S)-7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
CID 98780270
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
(9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-pyridin-4-ylmethanone
CID 131659015
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
[(1R,5S)-6-(2-methylpropyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-pyridin-4-ylmethanone
CID 124825239
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
[(1S,4R,7S)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 98780346
(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone (CID 124828123) is [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone is CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccncc1)C2.
What is the InChIKey of [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone?
The InChIKey is CCWPVNHLHLJSGU-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-18-13-11-3-4-12(13)16(9-11)14(17)10-5-7-15-8-6-10/h5-8,11-13H,2-4,9H2,1H3/t11-,12+,13+/m0/s1.
What are the key properties of [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone?
[(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone has a molecular weight of 246.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 124828123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).