N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

C28H28N4O3 — CID 58397307

IUPACN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C28H28N4O3/c1-18-8-9-19(26(33)32-23-16-20(28(2,3)4)10-11-24(23)34-5)15-25(18)35-27-21(7-6-13-30-27)22-12-14-29-17-31-22/h6-17H,1-5H3,(H,32,33)
InChIKeyGDZCYKXGPCBLKX-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.20
Rot. Bonds6

About N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (PubChem CID 58397307) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
PubChem CID58397307
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C28H28N4O3/c1-18-8-9-19(26(33)32-23-16-20(28(2,3)4)10-11-24(23)34-5)15-25(18)35-27-21(7-6-13-30-27)22-12-14-29-17-31-22/h6-17H,1-5H3,(H,32,33)
InChIKeyGDZCYKXGPCBLKX-UHFFFAOYSA-N
XLogP6.20
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide with MolForge

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Related Compounds

4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396804
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396999
N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide
CID 58588511
N-[3-methyl-4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 46846309
4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
CID 58396537
3-acetamido-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 167854424
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 11662975
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide
CID 58396624
N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58397243
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24584207

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (CID 58397307) is N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The InChIKey is GDZCYKXGPCBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-18-8-9-19(26(33)32-23-16-20(28(2,3)4)10-11-24(23)34-5)15-25(18)35-27-21(7-6-13-30-27)22-12-14-29-17-31-22/h6-17H,1-5H3,(H,32,33).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide has a molecular weight of 468.56 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 58397307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).