3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine

C12H13BrN4 — CID 79532611

IUPAC3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
SMILESCN(Cc1cccnc1)c1ncc(N)cc1Br
InChIInChI=1S/C12H13BrN4/c1-17(8-9-3-2-4-15-6-9)12-11(13)5-10(14)7-16-12/h2-7H,8,14H2,1H3
InChIKeyKNMFMDXBZVLXRB-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.46
Rot. Bonds3

About 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine

3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 79532611) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
PubChem CID79532611
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
SMILESCN(Cc1cccnc1)c1ncc(N)cc1Br
InChIInChI=1S/C12H13BrN4/c1-17(8-9-3-2-4-15-6-9)12-11(13)5-10(14)7-16-12/h2-7H,8,14H2,1H3
InChIKeyKNMFMDXBZVLXRB-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79532541
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 79076488
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360517
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79531942
2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
CID 82480063
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine (CID 79532611) is 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine is CN(Cc1cccnc1)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is KNMFMDXBZVLXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17(8-9-3-2-4-15-6-9)12-11(13)5-10(14)7-16-12/h2-7H,8,14H2,1H3.
What are the key properties of 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79532611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).