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

C22H21N3O3 — CID 108925861

IUPACN-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-19-10-8-16(9-11-19)13-21(26)25-20-7-3-2-5-17(20)15-24-22(27)18-6-4-12-23-14-18/h2-12,14H,13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyQXTCEHYTFSZLQC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.20
Rot. Bonds7

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

N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925861) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925861
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-19-10-8-16(9-11-19)13-21(26)25-20-7-3-2-5-17(20)15-24-22(27)18-6-4-12-23-14-18/h2-12,14H,13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyQXTCEHYTFSZLQC-UHFFFAOYSA-N
XLogP3.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925977
N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926177
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-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925379
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 108925861) is N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is COc1ccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QXTCEHYTFSZLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-19-10-8-16(9-11-19)13-21(26)25-20-7-3-2-5-17(20)15-24-22(27)18-6-4-12-23-14-18/h2-12,14H,13,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).