N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine

C16H16BrN3 — CID 115148200

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine
SMILESCc1nc(N(C)c2c(C)[nH]c3ccccc23)ccc1Br
InChIInChI=1S/C16H16BrN3/c1-10-13(17)8-9-15(19-10)20(3)16-11(2)18-14-7-5-4-6-12(14)16/h4-9,18H,1-3H3
InChIKeyWGVBVJLAAQQMJE-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.71
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine

N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine (PubChem CID 115148200) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine
PubChem CID115148200
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine
SMILESCc1nc(N(C)c2c(C)[nH]c3ccccc23)ccc1Br
InChIInChI=1S/C16H16BrN3/c1-10-13(17)8-9-15(19-10)20(3)16-11(2)18-14-7-5-4-6-12(14)16/h4-9,18H,1-3H3
InChIKeyWGVBVJLAAQQMJE-UHFFFAOYSA-N
XLogP4.71
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine (CID 115148200) is N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine is Cc1nc(N(C)c2c(C)[nH]c3ccccc23)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine?
The InChIKey is WGVBVJLAAQQMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-10-13(17)8-9-15(19-10)20(3)16-11(2)18-14-7-5-4-6-12(14)16/h4-9,18H,1-3H3.
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine?
N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine has a molecular weight of 330.23 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine is sourced from PubChem (CID 115148200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).