N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

C17H23N7O2 — CID 133123994

IUPACN,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccn3nnnc3c1)C2
InChIInChI=1S/C17H23N7O2/c1-21(2)16(25)11-22-8-12-3-4-14(10-22)23(9-12)17(26)13-5-6-24-15(7-13)18-19-20-24/h5-7,12,14H,3-4,8-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyHFXSTEOHMUAZCC-OCCSQVGLSA-N
MW357.42 g/mol
LogP-0.25
Rot. Bonds3

About N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (PubChem CID 133123994) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
PubChem CID133123994
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccn3nnnc3c1)C2
InChIInChI=1S/C17H23N7O2/c1-21(2)16(25)11-22-8-12-3-4-14(10-22)23(9-12)17(26)13-5-6-24-15(7-13)18-19-20-24/h5-7,12,14H,3-4,8-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyHFXSTEOHMUAZCC-OCCSQVGLSA-N
XLogP-0.25
TPSA86.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The IUPAC name of 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) is N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccn3nnnc3c1)C2.
What is the InChIKey of N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The InChIKey is HFXSTEOHMUAZCC-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-21(2)16(25)11-22-8-12-3-4-14(10-22)23(9-12)17(26)13-5-6-24-15(7-13)18-19-20-24/h5-7,12,14H,3-4,8-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide has a molecular weight of 357.42 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is sourced from PubChem (CID 133123994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).