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

C22H20BrN3O2 — CID 108926492

IUPACN-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CCc1ccc(Br)cc1)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H20BrN3O2/c23-19-9-6-16(7-10-19)8-11-21(27)25-14-17-3-1-5-20(13-17)26-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,27)(H,26,28)
InChIKeyKAUDKCAYSLSVHP-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.35
Rot. Bonds7

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

N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926492) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926492
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC NameN-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CCc1ccc(Br)cc1)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H20BrN3O2/c23-19-9-6-16(7-10-19)8-11-21(27)25-14-17-3-1-5-20(13-17)26-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,27)(H,26,28)
InChIKeyKAUDKCAYSLSVHP-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

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Related Compounds

N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
CID 47063746
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925744
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (CID 108926492) is N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is O=C(CCc1ccc(Br)cc1)NCc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KAUDKCAYSLSVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c23-19-9-6-16(7-10-19)8-11-21(27)25-14-17-3-1-5-20(13-17)26-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[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-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).