N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide

C24H27F2N3O6 — CID 170286907

About N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide (PubChem CID 170286907) has the molecular formula C24H27F2N3O6 and a molecular weight of 491.49 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide
• PubChem CID: 170286907
• Molecular Formula: C24H27F2N3O6
• Molecular Weight: 491.49 g/mol
• Exact Mass: 491.19
• IUPAC Name: N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide
• SMILES: CC1CCC2(OCCO2)C(n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C=O)CN1C
• InChI: InChI=1S/C24H27F2N3O6/c1-14-5-6-24(34-7-8-35-24)20(12-28(14)2)29-11-17(21(31)22(32)19(29)13-30)23(33)27-10-15-3-4-16(25)9-18(15)26/h3-4,9,11,13-14,20,32H,5-8,10,12H2,1-2H3,(H,27,33)
• InChIKey: GBUXRHZFIMWSSG-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 110.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.49
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide?

The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide (CID 170286907) is N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide?

The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide is CC1CCC2(OCCO2)C(n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C=O)CN1C.

What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide?

The InChIKey is GBUXRHZFIMWSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O6/c1-14-5-6-24(34-7-8-35-24)20(12-28(14)2)29-11-17(21(31)22(32)19(29)13-30)23(33)27-10-15-3-4-16(25)9-18(15)26/h3-4,9,11,13-14,20,32H,5-8,10,12H2,1-2H3,(H,27,33).

What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide?

N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide has a molecular weight of 491.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 170286907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).