[(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone

C21H27N5O — CID 72850049

IUPAC[(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone
SMILESCN(C)c1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cn1
InChIInChI=1S/C21H27N5O/c1-24(2)20-6-4-16(11-23-20)12-25-13-17-3-5-19(25)15-26(14-17)21(27)18-7-9-22-10-8-18/h4,6-11,17,19H,3,5,12-15H2,1-2H3/t17-,19-/m1/s1
InChIKeyFATJIZIAUCLFCO-IEBWSBKVSA-N
MW365.48 g/mol
LogP2.28
Rot. Bonds4

About [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone

[(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone (PubChem CID 72850049) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone
PubChem CID72850049
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone
SMILESCN(C)c1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cn1
InChIInChI=1S/C21H27N5O/c1-24(2)20-6-4-16(11-23-20)12-25-13-17-3-5-19(25)15-26(14-17)21(27)18-7-9-22-10-8-18/h4,6-11,17,19H,3,5,12-15H2,1-2H3/t17-,19-/m1/s1
InChIKeyFATJIZIAUCLFCO-IEBWSBKVSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[(1R,5R)-6-[(3,5-dimethoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone
CID 72907913
(2-amino-4-pyridinyl)-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72866577
[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70707917
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinoxalin-6-ylmethanone
CID 72881858
[(1R,5R)-6-(1-benzofuran-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone
CID 72850392
[(1S,5R)-6-(2-methylsulfanylpyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone
CID 72920406
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
1-[(1R,5R)-6-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 135112011
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 72849964
(1R,5R)-6-benzyl-N-methyl-N-phenyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 70783270
[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinolin-6-ylmethanone
CID 72898202
2-[2-methoxyethyl(methyl)amino]-1-[(1R,5S)-3-(pyridine-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 155561635

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone (CID 72850049) is [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone is CN(C)c1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cn1.
What is the InChIKey of [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone?
The InChIKey is FATJIZIAUCLFCO-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24(2)20-6-4-16(11-23-20)12-25-13-17-3-5-19(25)15-26(14-17)21(27)18-7-9-22-10-8-18/h4,6-11,17,19H,3,5,12-15H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone?
[(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-6-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 72850049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).