N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide

C23H22F4N4O4 — CID 178019800

IUPACN-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCc1ccc(Cc2ccc(OC(F)F)c(-c3ccnc(OC(F)F)c3)n2)cn1
InChIInChI=1S/C23H22F4N4O4/c1-23(2,33)20(32)30-12-16-4-3-13(11-29-16)9-15-5-6-17(34-21(24)25)19(31-15)14-7-8-28-18(10-14)35-22(26)27/h3-8,10-11,21-22,33H,9,12H2,1-2H3,(H,30,32)
InChIKeyZIOMGUFFNQRAGI-UHFFFAOYSA-N
MW494.45 g/mol
LogP3.72
Rot. Bonds10

About N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide

N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide (PubChem CID 178019800) has the molecular formula C23H22F4N4O4 and a molecular weight of 494.45 g/mol. Its IUPAC name is N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide
PubChem CID178019800
Molecular FormulaC23H22F4N4O4
Molecular Weight494.45 g/mol
Exact Mass494.16
IUPAC NameN-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCc1ccc(Cc2ccc(OC(F)F)c(-c3ccnc(OC(F)F)c3)n2)cn1
InChIInChI=1S/C23H22F4N4O4/c1-23(2,33)20(32)30-12-16-4-3-13(11-29-16)9-15-5-6-17(34-21(24)25)19(31-15)14-7-8-28-18(10-14)35-22(26)27/h3-8,10-11,21-22,33H,9,12H2,1-2H3,(H,30,32)
InChIKeyZIOMGUFFNQRAGI-UHFFFAOYSA-N
XLogP3.72
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide with MolForge

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Related Compounds

US10335401, No. I-40
CID 139313625
US10335401, No. I-41
CID 139313626
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]-2-[4-[4-(trifluoromethyl)pyridin-2-yl]oxyphenyl]acetamide
CID 42610198
2-[5-fluoro-6-(3-fluorophenyl)pyridin-3-yl]-N-[(1R)-3-hydroxy-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]propyl]acetamide
CID 57948485
2-(4-pyridin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948534
2-[6-(3,4-difluorophenyl)pyridin-3-yl]-N-[(1R)-3-hydroxy-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]propyl]acetamide
CID 57948554
(R)-N-(1-(5-(pyridin-2-ylmethoxy)pyridin-2-yl)ethyl)-2-(4-(trifluoromethyl)phenoxy)a cetamide
CID 67289090
(R)-N-(1-(5-(benzyloxy)pyridin-2-yl)ethyl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 67289265
N-[1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 67289268
(2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]butanamide
CID 67289492
2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
CID 67289500
N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]pyridin-2-yl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 67289769

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide (CID 178019800) is N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)NCc1ccc(Cc2ccc(OC(F)F)c(-c3ccnc(OC(F)F)c3)n2)cn1.
What is the InChIKey of N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is ZIOMGUFFNQRAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O4/c1-23(2,33)20(32)30-12-16-4-3-13(11-29-16)9-15-5-6-17(34-21(24)25)19(31-15)14-7-8-28-18(10-14)35-22(26)27/h3-8,10-11,21-22,33H,9,12H2,1-2H3,(H,30,32).
What are the key properties of N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide?
N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 494.45 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[5-(difluoromethoxy)-6-[2-(difluoromethoxy)-4-pyridinyl]-2-pyridinyl]methyl]-2-pyridinyl]methyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 178019800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).