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

C25H22N4O4 — CID 55610648

IUPACN-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide
SMILESCC(C)C(C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H22N4O4/c1-15(2)21(29-24(32)19-8-3-4-9-20(19)25(29)33)23(31)28-18-7-5-6-17(14-18)27-22(30)16-10-12-26-13-11-16/h3-15,21H,1-2H3,(H,27,30)(H,28,31)
InChIKeyBMTBUBGFCHZJSE-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.59
Rot. Bonds6

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

N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 55610648) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID55610648
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide
SMILESCC(C)C(C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H22N4O4/c1-15(2)21(29-24(32)19-8-3-4-9-20(19)25(29)33)23(31)28-18-7-5-6-17(14-18)27-22(30)16-10-12-26-13-11-16/h3-15,21H,1-2H3,(H,27,30)(H,28,31)
InChIKeyBMTBUBGFCHZJSE-UHFFFAOYSA-N
XLogP3.59
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-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-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 2787122
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978515
4-[[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978517
propan-2-yl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzoate
CID 2789060
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
CID 680589
N-(3-acetamido-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55784633
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]butanamide
CID 55331928
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-methylsulfanylphenyl)butanamide
CID 134124262
N-[3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]phenyl]pyridine-4-carboxamide
CID 122132708
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 978736
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610497

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide (CID 55610648) is N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide is CC(C)C(C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is BMTBUBGFCHZJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-15(2)21(29-24(32)19-8-3-4-9-20(19)25(29)33)23(31)28-18-7-5-6-17(14-18)27-22(30)16-10-12-26-13-11-16/h3-15,21H,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55610648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).