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

C20H27N5O2 — CID 72914987

IUPACN,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCc1nc2ccccn2c1C(=O)N1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2
InChIInChI=1S/C20H27N5O2/c1-14-19(24-9-5-4-6-17(24)21-14)20(27)25-11-15-7-8-16(25)12-23(10-15)13-18(26)22(2)3/h4-6,9,15-16H,7-8,10-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyAEVRVLIXTZMVKR-JKSUJKDBSA-N
MW369.47 g/mol
LogP1.27
Rot. Bonds3

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

N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (PubChem CID 72914987) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
PubChem CID72914987
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCc1nc2ccccn2c1C(=O)N1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2
InChIInChI=1S/C20H27N5O2/c1-14-19(24-9-5-4-6-17(24)21-14)20(27)25-11-15-7-8-16(25)12-23(10-15)13-18(26)22(2)3/h4-6,9,15-16H,7-8,10-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyAEVRVLIXTZMVKR-JKSUJKDBSA-N
XLogP1.27
TPSA61.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133123994
N,N-dimethyl-2-[(1R,5S)-6-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133114022
N,N-dimethyl-2-[(1R,5S)-6-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133132156
(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615877
(2-methylimidazo[1,2-a]pyridin-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331711
N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 72868801
(1S,5R)-3-[2-(dimethylamino)-2-oxoethyl]-N-(4-propan-2-ylphenyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72859733
2-[(1S,5R)-6-[2-(3-chlorophenoxy)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
CID 72847592
(2-amino-4-methylpyrimidin-5-yl)-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133125685
N,N-dimethyl-2-[(1R,5S)-6-(2-phenylmethoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133132144
[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 72894073
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone
CID 146602426

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (CID 72914987) is N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is Cc1nc2ccccn2c1C(=O)N1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The InChIKey is AEVRVLIXTZMVKR-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-19(24-9-5-4-6-17(24)21-14)20(27)25-11-15-7-8-16(25)12-23(10-15)13-18(26)22(2)3/h4-6,9,15-16H,7-8,10-13H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is sourced from PubChem (CID 72914987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).