N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide

C26H32ClN5O3 — CID 176985930

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide (PubChem CID 176985930) has the molecular formula C26H32ClN5O3 and a molecular weight of 498.03 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide
• PubChem CID: 176985930
• Molecular Formula: C26H32ClN5O3
• Molecular Weight: 498.03 g/mol
• Exact Mass: 497.22
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)C3C=CC(N4CC5(CC(CCO)C5)C4)=NN3)CC2)cc1Cl
• InChI: InChI=1S/C26H32ClN5O3/c27-22-11-21(4-1-18(22)14-28)35-20-5-2-19(3-6-20)29-25(34)23-7-8-24(31-30-23)32-15-26(16-32)12-17(13-26)9-10-33/h1,4,7-8,11,17,19-20,23,30,33H,2-3,5-6,9-10,12-13,15-16H2,(H,29,34)
• InChIKey: IKVXPHKTEGBJQP-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 109.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.03
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide (CID 176985930) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)C3C=CC(N4CC5(CC(CCO)C5)C4)=NN3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide?

The InChIKey is IKVXPHKTEGBJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O3/c27-22-11-21(4-1-18(22)14-28)35-20-5-2-19(3-6-20)29-25(34)23-7-8-24(31-30-23)32-15-26(16-32)12-17(13-26)9-10-33/h1,4,7-8,11,17,19-20,23,30,33H,2-3,5-6,9-10,12-13,15-16H2,(H,29,34).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide has a molecular weight of 498.03 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-3-[6-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-2-yl]-1,6-dihydropyridazine-6-carboxamide is sourced from PubChem (CID 176985930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).