2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine

C16H16BrN3 — CID 103182727

IUPAC2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(Cn2ccc3cc(Br)ccc32)c(C)c1N
InChIInChI=1S/C16H16BrN3/c1-10-8-19-14(11(2)16(10)18)9-20-6-5-12-7-13(17)3-4-15(12)20/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyNIPJJAZJBKTOHH-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.05
Rot. Bonds2

About 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine

2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103182727) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine
PubChem CID103182727
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(Cn2ccc3cc(Br)ccc32)c(C)c1N
InChIInChI=1S/C16H16BrN3/c1-10-8-19-14(11(2)16(10)18)9-20-6-5-12-7-13(17)3-4-15(12)20/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyNIPJJAZJBKTOHH-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile
CID 107919679
5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 116619570
5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole
CID 116619491
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole
CID 116621884
9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
CID 163877048
5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
CID 116619558
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 103182844
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182152
4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile
CID 116619511

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine (CID 103182727) is 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine is Cc1cnc(Cn2ccc3cc(Br)ccc32)c(C)c1N.
What is the InChIKey of 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is NIPJJAZJBKTOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-10-8-19-14(11(2)16(10)18)9-20-6-5-12-7-13(17)3-4-15(12)20/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 330.23 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103182727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).