3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

C12H12BrN3 — CID 106875469

IUPAC3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(NCc2ccncc2)c1Br
InChIInChI=1S/C12H12BrN3/c1-9-2-7-15-12(11(9)13)16-8-10-3-5-14-6-4-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyPYDOIEXNOBQEED-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.16
Rot. Bonds3

About 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 106875469) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID106875469
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(NCc2ccncc2)c1Br
InChIInChI=1S/C12H12BrN3/c1-9-2-7-15-12(11(9)13)16-8-10-3-5-14-6-4-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyPYDOIEXNOBQEED-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-amine
CID 106875582
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
CID 106876104
3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 106875865
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 106875469) is 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is Cc1ccnc(NCc2ccncc2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is PYDOIEXNOBQEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-9-2-7-15-12(11(9)13)16-8-10-3-5-14-6-4-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 3.16, 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-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106875469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).