N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide

C24H20N4O4 — CID 108925513

IUPACN-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1ccc(CNC(=O)c2cccnc2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N4O4/c1-15(28-23(31)19-6-2-3-7-20(19)24(28)32)21(29)27-18-10-8-16(9-11-18)13-26-22(30)17-5-4-12-25-14-17/h2-12,14-15H,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyIPCDVYKUEMJLGT-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.63
Rot. Bonds6

About N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925513) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925513
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C(=O)Nc1ccc(CNC(=O)c2cccnc2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N4O4/c1-15(28-23(31)19-6-2-3-7-20(19)24(28)32)21(29)27-18-10-8-16(9-11-18)13-26-22(30)17-5-4-12-25-14-17/h2-12,14-15H,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyIPCDVYKUEMJLGT-UHFFFAOYSA-N
XLogP2.63
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
CID 108925509
[3-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928240
N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108925906
1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
CID 108926281
N-benzylpyridine-3-carboxamide chloride
CID 21204170
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (CID 108925513) is N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is CC(C(=O)Nc1ccc(CNC(=O)c2cccnc2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IPCDVYKUEMJLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15(28-23(31)19-6-2-3-7-20(19)24(28)32)21(29)27-18-10-8-16(9-11-18)13-26-22(30)17-5-4-12-25-14-17/h2-12,14-15H,13H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).