N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

C22H26N4O2 — CID 72891370

IUPACN-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESO=C(CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2)NCc1ccccc1
InChIInChI=1S/C22H26N4O2/c27-21(24-12-17-6-2-1-3-7-17)16-25-13-18-9-10-19(25)15-26(14-18)22(28)20-8-4-5-11-23-20/h1-8,11,18-19H,9-10,12-16H2,(H,24,27)/t18-,19-/m1/s1
InChIKeyWHULZCOCSNSDAR-RTBURBONSA-N
MW378.48 g/mol
LogP1.93
Rot. Bonds5

About N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (PubChem CID 72891370) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
PubChem CID72891370
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESO=C(CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2)NCc1ccccc1
InChIInChI=1S/C22H26N4O2/c27-21(24-12-17-6-2-1-3-7-17)16-25-13-18-9-10-19(25)15-26(14-18)22(28)20-8-4-5-11-23-20/h1-8,11,18-19H,9-10,12-16H2,(H,24,27)/t18-,19-/m1/s1
InChIKeyWHULZCOCSNSDAR-RTBURBONSA-N
XLogP1.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide with MolForge

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Related Compounds

(1S,5R)-N-benzyl-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72847915
[(1S,5S)-6-(3-phenylmethoxypropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 133132692
pyridin-2-yl-[(1S,5S)-6-(3-pyrrol-1-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119100
[(1R,5S)-6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 133138684
2-(2-methoxyethoxy)-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 133138754
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 72849964
1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-thiophen-3-ylpropan-1-one
CID 72919898
(2-amino-4-pyridinyl)-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72866577
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-quinoxalin-6-ylmethanone
CID 72881858
3-(2-methylimidazol-1-yl)-1-[(1S,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
CID 72852355
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide
CID 118780727
[(1S,5R)-6-[2-(methylamino)-1,3-thiazole-4-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 72892379

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The IUPAC name of N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (CID 72891370) is N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is O=C(CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The InChIKey is WHULZCOCSNSDAR-RTBURBONSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(24-12-17-6-2-1-3-7-17)16-25-13-18-9-10-19(25)15-26(14-18)22(28)20-8-4-5-11-23-20/h1-8,11,18-19H,9-10,12-16H2,(H,24,27)/t18-,19-/m1/s1.
What are the key properties of N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1R,5R)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is sourced from PubChem (CID 72891370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).