6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide

C28H34ClN5O2 — CID 162688901

About 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide

6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide (PubChem CID 162688901) has the molecular formula C28H34ClN5O2 and a molecular weight of 508.07 g/mol. Its IUPAC name is 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide
• PubChem CID: 162688901
• Molecular Formula: C28H34ClN5O2
• Molecular Weight: 508.07 g/mol
• Exact Mass: 507.24
• IUPAC Name: 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide
• SMILES: CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1N1CC2(CCN(c3ccc(C(N)=O)cn3)CC2)C1
• InChI: InChI=1S/C28H34ClN5O2/c1-26(2)24(27(3,4)25(26)36-20-7-5-18(14-30)21(29)13-20)34-16-28(17-34)9-11-33(12-10-28)22-8-6-19(15-32-22)23(31)35/h5-8,13,15,24-25H,9-12,16-17H2,1-4H3,(H2,31,35)
• InChIKey: CVKOIVPLZUQPGJ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 95.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.07
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide (CID 162688901) is 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide is CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1N1CC2(CCN(c3ccc(C(N)=O)cn3)CC2)C1.

What is the InChIKey of 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The InChIKey is CVKOIVPLZUQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O2/c1-26(2)24(27(3,4)25(26)36-20-7-5-18(14-30)21(29)13-20)34-16-28(17-34)9-11-33(12-10-28)22-8-6-19(15-32-22)23(31)35/h5-8,13,15,24-25H,9-12,16-17H2,1-4H3,(H2,31,35).

What are the key properties of 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide has a molecular weight of 508.07 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162688901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).