(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

C13H18N4O3 — CID 124741114

IUPAC(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2cccnn2)C[C@]2(CCOC2)O1
InChIInChI=1S/C13H18N4O3/c1-10-7-17(8-13(20-10)4-6-19-9-13)12(18)15-11-3-2-5-14-16-11/h2-3,5,10H,4,6-9H2,1H3,(H,15,16,18)/t10-,13-/m0/s1
InChIKeyVSGQCELWCUKQOM-GWCFXTLKSA-N
MW278.31 g/mol
LogP0.89
Rot. Bonds1

About (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 124741114) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID124741114
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2cccnn2)C[C@]2(CCOC2)O1
InChIInChI=1S/C13H18N4O3/c1-10-7-17(8-13(20-10)4-6-19-9-13)12(18)15-11-3-2-5-14-16-11/h2-3,5,10H,4,6-9H2,1H3,(H,15,16,18)/t10-,13-/m0/s1
InChIKeyVSGQCELWCUKQOM-GWCFXTLKSA-N
XLogP0.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (CID 124741114) is (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is C[C@H]1CN(C(=O)Nc2cccnn2)C[C@]2(CCOC2)O1.
What is the InChIKey of (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is VSGQCELWCUKQOM-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-10-7-17(8-13(20-10)4-6-19-9-13)12(18)15-11-3-2-5-14-16-11/h2-3,5,10H,4,6-9H2,1H3,(H,15,16,18)/t10-,13-/m0/s1.
What are the key properties of (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 124741114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).