N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide

C17H16BrN3O — CID 2823644

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)Nc3ccc(Br)c(C)n3)cc2c1
InChIInChI=1S/C17H16BrN3O/c1-3-11-4-6-14-12(8-11)9-15(20-14)17(22)21-16-7-5-13(18)10(2)19-16/h4-9,20H,3H2,1-2H3,(H,19,21,22)
InChIKeyJSQCLMLJCNXAKC-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.45
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide (PubChem CID 2823644) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide
PubChem CID2823644
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)Nc3ccc(Br)c(C)n3)cc2c1
InChIInChI=1S/C17H16BrN3O/c1-3-11-4-6-14-12(8-11)9-15(20-14)17(22)21-16-7-5-13(18)10(2)19-16/h4-9,20H,3H2,1-2H3,(H,19,21,22)
InChIKeyJSQCLMLJCNXAKC-UHFFFAOYSA-N
XLogP4.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide (CID 2823644) is N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide is CCc1ccc2[nH]c(C(=O)Nc3ccc(Br)c(C)n3)cc2c1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide?
The InChIKey is JSQCLMLJCNXAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-3-11-4-6-14-12(8-11)9-15(20-14)17(22)21-16-7-5-13(18)10(2)19-16/h4-9,20H,3H2,1-2H3,(H,19,21,22).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide has a molecular weight of 358.24 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 2823644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).