(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

C22H26N4O — CID 70788294

IUPAC(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESNc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)ccn1
InChIInChI=1S/C22H26N4O/c23-21-11-18(7-8-24-21)22(27)26-13-15-5-6-19(26)14-25(12-15)20-9-16-3-1-2-4-17(16)10-20/h1-4,7-8,11,15,19-20H,5-6,9-10,12-14H2,(H2,23,24)/t15-,19+/m0/s1
InChIKeyTXAIBOMYDQFGPE-HNAYVOBHSA-N
MW362.48 g/mol
LogP2.37
Rot. Bonds2

About (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 70788294) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID70788294
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESNc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)ccn1
InChIInChI=1S/C22H26N4O/c23-21-11-18(7-8-24-21)22(27)26-13-15-5-6-19(26)14-25(12-15)20-9-16-3-1-2-4-17(16)10-20/h1-4,7-8,11,15,19-20H,5-6,9-10,12-14H2,(H2,23,24)/t15-,19+/m0/s1
InChIKeyTXAIBOMYDQFGPE-HNAYVOBHSA-N
XLogP2.37
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone with MolForge

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Related Compounds

5-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-1H-pyrazin-2-one
CID 70711821
(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 164636398
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-pyrrol-2-yl)methanone
CID 72928172
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone
CID 70754308
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone
CID 72865657
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 72892112
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70740192
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 72911122
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indazol-3-yl)methanone
CID 72843968
1-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylsulfanylethanone
CID 70758751
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133115439
(2-amino-4-pyridinyl)-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72866577

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 70788294) is (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is Nc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is TXAIBOMYDQFGPE-HNAYVOBHSA-N. The full InChI is InChI=1S/C22H26N4O/c23-21-11-18(7-8-24-21)22(27)26-13-15-5-6-19(26)14-25(12-15)20-9-16-3-1-2-4-17(16)10-20/h1-4,7-8,11,15,19-20H,5-6,9-10,12-14H2,(H2,23,24)/t15-,19+/m0/s1.
What are the key properties of (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 70788294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).