N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide

C21H16BrN3O — CID 42947145

IUPACN-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide
SMILESO=C(/N=c1/ccccn1Cc1ccccc1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C21H16BrN3O/c22-17-9-10-18-16(12-17)13-19(23-18)21(26)24-20-8-4-5-11-25(20)14-15-6-2-1-3-7-15/h1-13,23H,14H2/b24-20-
InChIKeyJMDWOMPBZNLONF-GFMRDNFCSA-N
MW406.28 g/mol
LogP4.52
Rot. Bonds3

About N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide

N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide (PubChem CID 42947145) has the molecular formula C21H16BrN3O and a molecular weight of 406.28 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide
PubChem CID42947145
Molecular FormulaC21H16BrN3O
Molecular Weight406.28 g/mol
Exact Mass405.05
IUPAC NameN-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide
SMILESO=C(/N=c1/ccccn1Cc1ccccc1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C21H16BrN3O/c22-17-9-10-18-16(12-17)13-19(23-18)21(26)24-20-8-4-5-11-25(20)14-15-6-2-1-3-7-15/h1-13,23H,14H2/b24-20-
InChIKeyJMDWOMPBZNLONF-GFMRDNFCSA-N
XLogP4.52
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide (CID 42947145) is N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide is O=C(/N=c1/ccccn1Cc1ccccc1)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide?
The InChIKey is JMDWOMPBZNLONF-GFMRDNFCSA-N. The full InChI is InChI=1S/C21H16BrN3O/c22-17-9-10-18-16(12-17)13-19(23-18)21(26)24-20-8-4-5-11-25(20)14-15-6-2-1-3-7-15/h1-13,23H,14H2/b24-20-.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide?
N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide has a molecular weight of 406.28 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide is sourced from PubChem (CID 42947145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).