6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide

C17H24N4O2 — CID 124858763

IUPAC6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)nn1
InChIInChI=1S/C17H24N4O2/c1-21(2)13-6-5-12(19-20-13)16(22)18-14-11-7-10-23-15(11)17(14)8-3-4-9-17/h5-6,11,14-15H,3-4,7-10H2,1-2H3,(H,18,22)/t11-,14+,15+/m0/s1
InChIKeyRBMLMOOCVYPGHN-NILFDRSVSA-N
MW316.40 g/mol
LogP1.62
Rot. Bonds3

About 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide

6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide (PubChem CID 124858763) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide
PubChem CID124858763
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)nn1
InChIInChI=1S/C17H24N4O2/c1-21(2)13-6-5-12(19-20-13)16(22)18-14-11-7-10-23-15(11)17(14)8-3-4-9-17/h5-6,11,14-15H,3-4,7-10H2,1-2H3,(H,18,22)/t11-,14+,15+/m0/s1
InChIKeyRBMLMOOCVYPGHN-NILFDRSVSA-N
XLogP1.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide (CID 124858763) is 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide is CN(C)c1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)nn1.
What is the InChIKey of 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide?
The InChIKey is RBMLMOOCVYPGHN-NILFDRSVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-21(2)13-6-5-12(19-20-13)16(22)18-14-11-7-10-23-15(11)17(14)8-3-4-9-17/h5-6,11,14-15H,3-4,7-10H2,1-2H3,(H,18,22)/t11-,14+,15+/m0/s1.
What are the key properties of 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide?
6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 124858763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).