N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide

C23H23N3O4 — CID 108926398

IUPACN-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(OCC(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C23H23N3O4/c1-2-29-20-8-10-21(11-9-20)30-16-22(27)26-19-7-3-5-17(13-19)14-25-23(28)18-6-4-12-24-15-18/h3-13,15H,2,14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyLILWXEDPBMRHDT-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.43
Rot. Bonds9

About N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide

N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926398) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926398
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(OCC(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C23H23N3O4/c1-2-29-20-8-10-21(11-9-20)30-16-22(27)26-19-7-3-5-17(13-19)14-25-23(28)18-6-4-12-24-15-18/h3-13,15H,2,14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyLILWXEDPBMRHDT-UHFFFAOYSA-N
XLogP3.43
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926328
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[[3-[4-(2,6-dimethylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926336
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926346

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926398) is N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is CCOc1ccc(OCC(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)cc1.
What is the InChIKey of N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is LILWXEDPBMRHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-29-20-8-10-21(11-9-20)30-16-22(27)26-19-7-3-5-17(13-19)14-25-23(28)18-6-4-12-24-15-18/h3-13,15H,2,14,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).