5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine

C16H16BrN3 — CID 84608837

IUPAC5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H16BrN3/c1-11-8-13(17)10-20-16(11)18-7-6-12-9-19-15-5-3-2-4-14(12)15/h2-5,8-10,19H,6-7H2,1H3,(H,18,20)
InChIKeyHZJLOKVFXVPSQH-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.29
Rot. Bonds4

About 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine

5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine (PubChem CID 84608837) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
PubChem CID84608837
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H16BrN3/c1-11-8-13(17)10-20-16(11)18-7-6-12-9-19-15-5-3-2-4-14(12)15/h2-5,8-10,19H,6-7H2,1H3,(H,18,20)
InChIKeyHZJLOKVFXVPSQH-UHFFFAOYSA-N
XLogP4.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 1259485
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
1-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-one
CID 20941602
2-bromo-1-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4-N-(2-methyl-4-pyridinyl)benzene-1,4-diamine
CID 143779104
N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 115148660
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
1-(3-chloro-4-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017492

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine (CID 84608837) is 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine?
The InChIKey is HZJLOKVFXVPSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-11-8-13(17)10-20-16(11)18-7-6-12-9-19-15-5-3-2-4-14(12)15/h2-5,8-10,19H,6-7H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine?
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine has a molecular weight of 330.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 84608837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).