N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide

C17H24N4O2 — CID 169418236

IUPACN-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)CC2NC(=O)c1ccnnc1
InChIInChI=1S/C17H24N4O2/c1-12(2)9-15(22)21-7-4-17(5-8-21)10-14(17)20-16(23)13-3-6-18-19-11-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,20,23)
InChIKeySYADLPSMFUVBEY-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.63
Rot. Bonds4

About N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide

N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide (PubChem CID 169418236) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide
PubChem CID169418236
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)CC2NC(=O)c1ccnnc1
InChIInChI=1S/C17H24N4O2/c1-12(2)9-15(22)21-7-4-17(5-8-21)10-14(17)20-16(23)13-3-6-18-19-11-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,20,23)
InChIKeySYADLPSMFUVBEY-UHFFFAOYSA-N
XLogP1.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide (CID 169418236) is N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide is CC(C)CC(=O)N1CCC2(CC1)CC2NC(=O)c1ccnnc1.
What is the InChIKey of N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide?
The InChIKey is SYADLPSMFUVBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)9-15(22)21-7-4-17(5-8-21)10-14(17)20-16(23)13-3-6-18-19-11-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide?
N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 169418236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).