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

C22H21N3O2 — CID 108926105

IUPACN-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)c1
InChIInChI=1S/C22H21N3O2/c1-16-6-4-7-17(12-16)13-21(26)25-20-10-3-2-8-18(20)15-24-22(27)19-9-5-11-23-14-19/h2-12,14H,13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyUBOZXFSTTDSOLD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.50
Rot. Bonds6

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

N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926105) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926105
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)c1
InChIInChI=1S/C22H21N3O2/c1-16-6-4-7-17(12-16)13-21(26)25-20-10-3-2-8-18(20)15-24-22(27)19-9-5-11-23-14-19/h2-12,14H,13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyUBOZXFSTTDSOLD-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925977
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
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-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926105) is N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is Cc1cccc(CC(=O)Nc2ccccc2CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is UBOZXFSTTDSOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-6-4-7-17(12-16)13-21(26)25-20-10-3-2-8-18(20)15-24-22(27)19-9-5-11-23-14-19/h2-12,14H,13,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).