N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide

C23H29N3O3 — CID 109215699

About N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide

N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide (PubChem CID 109215699) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
• PubChem CID: 109215699
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
• SMILES: CC(C)(C)c1ccccc1NC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1
• InChI: InChI=1S/C23H29N3O3/c1-22(2,3)18-6-4-5-7-19(18)25-21(27)20-16-17(8-11-24-20)26-12-9-23(10-13-26)28-14-15-29-23/h4-8,11,16H,9-10,12-15H2,1-3H3,(H,25,27)
• InChIKey: JGFOCNIIBJAQHM-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?

The IUPAC name of N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide (CID 109215699) is N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?

The canonical SMILES for N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cc(N2CCC3(CC2)OCCO3)ccn1.

What is the InChIKey of N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?

The InChIKey is JGFOCNIIBJAQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-22(2,3)18-6-4-5-7-19(18)25-21(27)20-16-17(8-11-24-20)26-12-9-23(10-13-26)28-14-15-29-23/h4-8,11,16H,9-10,12-15H2,1-3H3,(H,25,27).

What are the key properties of N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide?

N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109215699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).