3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine

C13H14BrN3 — CID 106875724

IUPAC3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cccnc1CNc1nccc(C)c1Br
InChIInChI=1S/C13H14BrN3/c1-9-4-3-6-15-11(9)8-17-13-12(14)10(2)5-7-16-13/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyHVBTXFAEQJLPQI-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.47
Rot. Bonds3

About 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine

3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine (PubChem CID 106875724) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
PubChem CID106875724
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cccnc1CNc1nccc(C)c1Br
InChIInChI=1S/C13H14BrN3/c1-9-4-3-6-15-11(9)8-17-13-12(14)10(2)5-7-16-13/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyHVBTXFAEQJLPQI-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
CID 106876104
5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
CID 63305917
2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650051
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106875638
2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 106875865

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine (CID 106875724) is 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine is Cc1cccnc1CNc1nccc(C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is HVBTXFAEQJLPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-4-3-6-15-11(9)8-17-13-12(14)10(2)5-7-16-13/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine?
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 106875724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).