6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide

C18H27N5O — CID 154817530

IUPAC6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)nn1
InChIInChI=1S/C18H27N5O/c1-21(2)18(24)15-6-7-17(20-19-15)23-11-13-9-14(12-23)16-5-3-4-8-22(16)10-13/h6-7,13-14,16H,3-5,8-12H2,1-2H3/t13-,14-,16+/m1/s1
InChIKeyMCBRVGKXJLVZDU-FMKPAKJESA-N
MW329.45 g/mol
LogP1.49
Rot. Bonds2

About 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide

6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide (PubChem CID 154817530) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide
PubChem CID154817530
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)nn1
InChIInChI=1S/C18H27N5O/c1-21(2)18(24)15-6-7-17(20-19-15)23-11-13-9-14(12-23)16-5-3-4-8-22(16)10-13/h6-7,13-14,16H,3-5,8-12H2,1-2H3/t13-,14-,16+/m1/s1
InChIKeyMCBRVGKXJLVZDU-FMKPAKJESA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide?
The IUPAC name of 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide (CID 154817530) is 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide is CN(C)C(=O)c1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)nn1.
What is the InChIKey of 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide?
The InChIKey is MCBRVGKXJLVZDU-FMKPAKJESA-N. The full InChI is InChI=1S/C18H27N5O/c1-21(2)18(24)15-6-7-17(20-19-15)23-11-13-9-14(12-23)16-5-3-4-8-22(16)10-13/h6-7,13-14,16H,3-5,8-12H2,1-2H3/t13-,14-,16+/m1/s1.
What are the key properties of 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide?
6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N,N-dimethylpyridazine-3-carboxamide is sourced from PubChem (CID 154817530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).