N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide

C22H26N6O2 — CID 71571757

IUPACN-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC3(CCNC3)C2)nn1)N1Cc2ccccc2C1
InChIInChI=1S/C22H26N6O2/c29-20(27-11-3-8-22(15-27)9-10-23-14-22)18-6-7-19(26-25-18)24-21(30)28-12-16-4-1-2-5-17(16)13-28/h1-2,4-7,23H,3,8-15H2,(H,24,26,30)
InChIKeyATTSAEJLHFZVGP-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.24
Rot. Bonds2

About N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide

N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 71571757) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID71571757
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC3(CCNC3)C2)nn1)N1Cc2ccccc2C1
InChIInChI=1S/C22H26N6O2/c29-20(27-11-3-8-22(15-27)9-10-23-14-22)18-6-7-19(26-25-18)24-21(30)28-12-16-4-1-2-5-17(16)13-28/h1-2,4-7,23H,3,8-15H2,(H,24,26,30)
InChIKeyATTSAEJLHFZVGP-UHFFFAOYSA-N
XLogP2.24
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide with MolForge

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Related Compounds

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118174196
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CYCLOPROPYLBUTYL)AMIDE
CID 11178995
N-(2-cyclopropylethyl)-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 11487680
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-CYCLOPROPYLPROPYL)AMIDE
CID 11488029
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Pentylamide
CID 11698083
N-phenethyl-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 16035660
6-[4-(2-TRIFLUOROMETHYLBENZOYL)-PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-PHENYLPROPYL)AMIDE
CID 16035762
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
CID 16035765
6-[4-(2-TRIFLUOROMETHYLBENZYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
CID 16733788
6-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 45487369
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Hexylamide
CID 67012215
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Heptylamide
CID 67012400

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide (CID 71571757) is N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC3(CCNC3)C2)nn1)N1Cc2ccccc2C1.
What is the InChIKey of N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is ATTSAEJLHFZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-20(27-11-3-8-22(15-27)9-10-23-14-22)18-6-7-19(26-25-18)24-21(30)28-12-16-4-1-2-5-17(16)13-28/h1-2,4-7,23H,3,8-15H2,(H,24,26,30).
What are the key properties of N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide?
N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,7-diazaspiro[4.5]decane-7-carbonyl)pyridazin-3-yl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 71571757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).