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

C23H23N3O3 — CID 108925977

IUPACN-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-29-20-11-9-17(10-12-20)14-22(27)26-21-8-4-3-6-18(21)16-25-23(28)19-7-5-13-24-15-19/h3-13,15H,2,14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyKJTWWJJNCYNDFT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.59
Rot. Bonds8

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

N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925977) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925977
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-29-20-11-9-17(10-12-20)14-22(27)26-21-8-4-3-6-18(21)16-25-23(28)19-7-5-13-24-15-19/h3-13,15H,2,14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyKJTWWJJNCYNDFT-UHFFFAOYSA-N
XLogP3.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
2-(4-ethoxyphenyl)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 60653646
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 108925977) is N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is CCOc1ccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is KJTWWJJNCYNDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-29-20-11-9-17(10-12-20)14-22(27)26-21-8-4-3-6-18(21)16-25-23(28)19-7-5-13-24-15-19/h3-13,15H,2,14,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).