N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

C25H22N4O3 — CID 58397243

IUPACN-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2cccc(Oc3ncccc3-c3ccncn3)c2)c1
InChIInChI=1S/C25H22N4O3/c1-17(2)31-21-9-4-7-19(15-21)29-24(30)18-6-3-8-20(14-18)32-25-22(10-5-12-27-25)23-11-13-26-16-28-23/h3-17H,1-2H3,(H,29,30)
InChIKeyAGSFNRQXOXABCA-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.37
Rot. Bonds7

About N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (PubChem CID 58397243) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
PubChem CID58397243
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2cccc(Oc3ncccc3-c3ccncn3)c2)c1
InChIInChI=1S/C25H22N4O3/c1-17(2)31-21-9-4-7-19(15-21)29-24(30)18-6-3-8-20(14-18)32-25-22(10-5-12-27-25)23-11-13-26-16-28-23/h3-17H,1-2H3,(H,29,30)
InChIKeyAGSFNRQXOXABCA-UHFFFAOYSA-N
XLogP5.37
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 58396487
4-chloro-N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 58397127
N-(1H-indazol-6-yl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396502
4-methyl-N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
CID 58396198
N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide
CID 58588466
N-[3-methyl-4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 46846309
3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58587740
3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 58588283
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
CID 58396999
N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 58587863
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (CID 58397243) is N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is CC(C)Oc1cccc(NC(=O)c2cccc(Oc3ncccc3-c3ccncn3)c2)c1.
What is the InChIKey of N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The InChIKey is AGSFNRQXOXABCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17(2)31-21-9-4-7-19(15-21)29-24(30)18-6-3-8-20(14-18)32-25-22(10-5-12-27-25)23-11-13-26-16-28-23/h3-17H,1-2H3,(H,29,30).
What are the key properties of N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide has a molecular weight of 426.48 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 58397243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).