N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide

C25H27N3O3 — CID 108925179

IUPACN-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)c(C(C)(C)C)c1
InChIInChI=1S/C25H27N3O3/c1-17-10-11-22(21(13-17)25(2,3)4)31-16-23(29)27-19-8-5-9-20(14-19)28-24(30)18-7-6-12-26-15-18/h5-15H,16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyDCMDVHIQFMNHTM-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.96
Rot. Bonds6

About N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 108925179) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID108925179
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)c(C(C)(C)C)c1
InChIInChI=1S/C25H27N3O3/c1-17-10-11-22(21(13-17)25(2,3)4)31-16-23(29)27-19-8-5-9-20(14-19)28-24(30)18-7-6-12-26-15-18/h5-15H,16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyDCMDVHIQFMNHTM-UHFFFAOYSA-N
XLogP4.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925180
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
[3-[[3-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929047
N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
CID 17356505
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
N-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925024
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
N-[3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678884

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide (CID 108925179) is N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide is Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)c(C(C)(C)C)c1.
What is the InChIKey of N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is DCMDVHIQFMNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-10-11-22(21(13-17)25(2,3)4)31-16-23(29)27-19-8-5-9-20(14-19)28-24(30)18-7-6-12-26-15-18/h5-15H,16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).