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

C24H20N4O4 — CID 108925906

IUPACN-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESCC(C(=O)NCc1ccccc1NC(=O)c1cccnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N4O4/c1-15(28-23(31)18-9-3-4-10-19(18)24(28)32)21(29)26-14-16-7-2-5-11-20(16)27-22(30)17-8-6-12-25-13-17/h2-13,15H,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyGRDFIQSYQZVIBL-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.63
Rot. Bonds6

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

N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925906) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925906
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESCC(C(=O)NCc1ccccc1NC(=O)c1cccnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N4O4/c1-15(28-23(31)18-9-3-4-10-19(18)24(28)32)21(29)26-14-16-7-2-5-11-20(16)27-22(30)17-8-6-12-25-13-17/h2-13,15H,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyGRDFIQSYQZVIBL-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'}

Analyze N-[2-[[2-(1,3-dioxoisoindol-2-yl)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-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925920
N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925513
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
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-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108925952
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925855
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925872
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
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-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (CID 108925906) is N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is CC(C(=O)NCc1ccccc1NC(=O)c1cccnc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is GRDFIQSYQZVIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15(28-23(31)18-9-3-4-10-19(18)24(28)32)21(29)26-14-16-7-2-5-11-20(16)27-22(30)17-8-6-12-25-13-17/h2-13,15H,14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]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-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).