6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide

C22H28N4O — CID 133121148

IUPAC6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)nc1
InChIInChI=1S/C22H28N4O/c1-2-23-22(27)19-9-11-21(24-12-19)26-15-18-8-10-20(16-26)25(14-18)13-17-6-4-3-5-7-17/h3-7,9,11-12,18,20H,2,8,10,13-16H2,1H3,(H,23,27)/t18-,20-/m0/s1
InChIKeyGBDOYXIDYJAUQB-ICSRJNTNSA-N
MW364.49 g/mol
LogP2.93
Rot. Bonds5

About 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide

6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide (PubChem CID 133121148) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide
PubChem CID133121148
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)nc1
InChIInChI=1S/C22H28N4O/c1-2-23-22(27)19-9-11-21(24-12-19)26-15-18-8-10-20(16-26)25(14-18)13-17-6-4-3-5-7-17/h3-7,9,11-12,18,20H,2,8,10,13-16H2,1H3,(H,23,27)/t18-,20-/m0/s1
InChIKeyGBDOYXIDYJAUQB-ICSRJNTNSA-N
XLogP2.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide with MolForge

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Related Compounds

(1S,5S)-6-benzyl-N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133122401
6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 137340358
6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 134699696
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile
CID 70785562
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
CID 133473284
6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 135101927
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214
(2-amino-4-pyridinyl)-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72866577
N-ethyl-6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135119211
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinoxalin-6-ylmethanone
CID 72881858
N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133445496

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide (CID 133121148) is 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)nc1.
What is the InChIKey of 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide?
The InChIKey is GBDOYXIDYJAUQB-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H28N4O/c1-2-23-22(27)19-9-11-21(24-12-19)26-15-18-8-10-20(16-26)25(14-18)13-17-6-4-3-5-7-17/h3-7,9,11-12,18,20H,2,8,10,13-16H2,1H3,(H,23,27)/t18-,20-/m0/s1.
What are the key properties of 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide?
6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 133121148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).