N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide

C22H15BrN4O4 — CID 39188263

IUPACN-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H15BrN4O4/c23-14-6-7-17-18(9-14)22(31)27(21(17)30)12-19(28)25-15-4-1-5-16(10-15)26-20(29)13-3-2-8-24-11-13/h1-11H,12H2,(H,25,28)(H,26,29)
InChIKeyOZFFIFKHLGBDNP-UHFFFAOYSA-N
MW479.29 g/mol
LogP3.33
Rot. Bonds5

About N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 39188263) has the molecular formula C22H15BrN4O4 and a molecular weight of 479.29 g/mol. Its IUPAC name is N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID39188263
Molecular FormulaC22H15BrN4O4
Molecular Weight479.29 g/mol
Exact Mass478.03
IUPAC NameN-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H15BrN4O4/c23-14-6-7-17-18(9-14)22(31)27(21(17)30)12-19(28)25-15-4-1-5-16(10-15)26-20(29)13-3-2-8-24-11-13/h1-11H,12H2,(H,25,28)(H,26,29)
InChIKeyOZFFIFKHLGBDNP-UHFFFAOYSA-N
XLogP3.33
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]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-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926643
N-[[3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926388
N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925199
N-[[4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925634
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 55833342
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-(3-hydroxyphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2185532

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide (CID 39188263) is N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide is O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is OZFFIFKHLGBDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN4O4/c23-14-6-7-17-18(9-14)22(31)27(21(17)30)12-19(28)25-15-4-1-5-16(10-15)26-20(29)13-3-2-8-24-11-13/h1-11H,12H2,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 479.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39188263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).