N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide

C25H27N3O3 — CID 108926320

IUPACN-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C25H27N3O3/c1-17(2)22-11-4-5-12-23(22)31-18(3)24(29)28-21-10-6-8-19(14-21)15-27-25(30)20-9-7-13-26-16-20/h4-14,16-18H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyXCTUTWIPIIXKPY-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.54
Rot. Bonds8

About N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide

N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926320) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926320
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C25H27N3O3/c1-17(2)22-11-4-5-12-23(22)31-18(3)24(29)28-21-10-6-8-19(14-21)15-27-25(30)20-9-7-13-26-16-20/h4-14,16-18H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyXCTUTWIPIIXKPY-UHFFFAOYSA-N
XLogP4.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926346
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
tert-butyl N-[2-oxo-2-[3-[[2-(2-propan-2-ylphenoxy)propanoylamino]methyl]anilino]ethyl]carbamate
CID 108918397
N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43887128
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226
N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926328

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (CID 108926320) is N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is CC(Oc1ccccc1C(C)C)C(=O)Nc1cccc(CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XCTUTWIPIIXKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(2)22-11-4-5-12-23(22)31-18(3)24(29)28-21-10-6-8-19(14-21)15-27-25(30)20-9-7-13-26-16-20/h4-14,16-18H,15H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).