N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide

C22H20BrN3O2 — CID 108926146

IUPACN-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CCc1ccc(Br)cc1)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H20BrN3O2/c23-19-10-7-16(8-11-19)9-12-21(27)25-15-17-4-1-2-6-20(17)26-22(28)18-5-3-13-24-14-18/h1-8,10-11,13-14H,9,12,15H2,(H,25,27)(H,26,28)
InChIKeyWDUJRZXGRODZKQ-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.35
Rot. Bonds7

About N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926146) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926146
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC NameN-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CCc1ccc(Br)cc1)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H20BrN3O2/c23-19-10-7-16(8-11-19)9-12-21(27)25-15-17-4-1-2-6-20(17)26-22(28)18-5-3-13-24-14-18/h1-8,10-11,13-14H,9,12,15H2,(H,25,27)(H,26,28)
InChIKeyWDUJRZXGRODZKQ-UHFFFAOYSA-N
XLogP4.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]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-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
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-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 108925345
N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925920
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (CID 108926146) is N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is O=C(CCc1ccc(Br)cc1)NCc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is WDUJRZXGRODZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c23-19-10-7-16(8-11-19)9-12-21(27)25-15-17-4-1-2-6-20(17)26-22(28)18-5-3-13-24-14-18/h1-8,10-11,13-14H,9,12,15H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 438.33 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).