N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide

C18H16BrN3O3 — CID 29260316

IUPACN-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O
InChIInChI=1S/C18H16BrN3O3/c1-2-3-8-22-17(24)13-6-4-11(9-14(13)18(22)25)16(23)21-15-7-5-12(19)10-20-15/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)
InChIKeyNFNZOUCBGHTAHV-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.49
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide

N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 29260316) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID29260316
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC NameN-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O
InChIInChI=1S/C18H16BrN3O3/c1-2-3-8-22-17(24)13-6-4-11(9-14(13)18(22)25)16(23)21-15-7-5-12(19)10-20-15/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)
InChIKeyNFNZOUCBGHTAHV-UHFFFAOYSA-N
XLogP3.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate
CID 2215982
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17342266
N-(5-bromo-2-pyridinyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 29260312
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
N-[5-bromo-2-(1,2,4-triazol-1-yl)phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 60608856
2-butyl-1,3-dioxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)isoindole-5-carboxamide
CID 52719410
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 27160971
N-(5-bromo-2-pyridinyl)-4-(4-octylphenyl)benzamide
CID 3343388

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide (CID 29260316) is N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is NFNZOUCBGHTAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-2-3-8-22-17(24)13-6-4-11(9-14(13)18(22)25)16(23)21-15-7-5-12(19)10-20-15/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide?
N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 29260316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).