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

C22H20BrN3O2 — CID 108925744

IUPACN-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(CCc1cccc(Br)c1)Nc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H20BrN3O2/c23-19-5-1-3-16(13-19)8-11-21(27)26-20-9-6-17(7-10-20)14-25-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,28)(H,26,27)
InChIKeyFNFJNKCVUBIDAQ-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.35
Rot. Bonds7

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

N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925744) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925744
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC NameN-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(CCc1cccc(Br)c1)Nc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H20BrN3O2/c23-19-5-1-3-16(13-19)8-11-21(27)26-20-9-6-17(7-10-20)14-25-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,28)(H,26,27)
InChIKeyFNFJNKCVUBIDAQ-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-[[4-[3-(3-bromophenyl)propanoylamino]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-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925742
N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925738
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
N-[[4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925634
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[[4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925788

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (CID 108925744) is N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is O=C(CCc1cccc(Br)c1)Nc1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is FNFJNKCVUBIDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c23-19-5-1-3-16(13-19)8-11-21(27)26-20-9-6-17(7-10-20)14-25-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,28)(H,26,27).
What are the key properties of N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]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-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).