N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide

C24H19N5O6 — CID 108925199

IUPACN-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide
SMILESO=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H19N5O6/c30-21(26-16-5-1-6-17(12-16)27-22(31)15-4-2-10-25-14-15)7-3-11-28-23(32)19-9-8-18(29(34)35)13-20(19)24(28)33/h1-2,4-6,8-10,12-14H,3,7,11H2,(H,26,30)(H,27,31)
InChIKeyMGHQSDVLVBYTIO-UHFFFAOYSA-N
MW473.45 g/mol
LogP3.26
Rot. Bonds8

About N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide

N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide (PubChem CID 108925199) has the molecular formula C24H19N5O6 and a molecular weight of 473.45 g/mol. Its IUPAC name is N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide
PubChem CID108925199
Molecular FormulaC24H19N5O6
Molecular Weight473.45 g/mol
Exact Mass473.13
IUPAC NameN-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide
SMILESO=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H19N5O6/c30-21(26-16-5-1-6-17(12-16)27-22(31)15-4-2-10-25-14-15)7-3-11-28-23(32)19-9-8-18(29(34)35)13-20(19)24(28)33/h1-2,4-6,8-10,12-14H,3,7,11H2,(H,26,30)(H,27,31)
InChIKeyMGHQSDVLVBYTIO-UHFFFAOYSA-N
XLogP3.26
TPSA151.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]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-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385
N-[[3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926388
11-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)undecanamide
CID 3354332
N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188263
N-methyl-4-(5-nitro-1,3-dioxoisoindol-2-yl)butanamide
CID 3318291
N-[[4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925634
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
N-(4-chlorophenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 17297181
3-[[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]methyl]benzoic acid
CID 108745385
2-(3-methoxypropyl)-1,3-dioxo-N-[4-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925012
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 17360257

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide (CID 108925199) is N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide is O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide?
The InChIKey is MGHQSDVLVBYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O6/c30-21(26-16-5-1-6-17(12-16)27-22(31)15-4-2-10-25-14-15)7-3-11-28-23(32)19-9-8-18(29(34)35)13-20(19)24(28)33/h1-2,4-6,8-10,12-14H,3,7,11H2,(H,26,30)(H,27,31).
What are the key properties of N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide?
N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 473.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).