5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile

C13H11BrN4 — CID 164912172

IUPAC5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCc1ccnc(Nc2nc(C)c(Br)cc2C#N)c1
InChIInChI=1S/C13H11BrN4/c1-8-3-4-16-12(5-8)18-13-10(7-15)6-11(14)9(2)17-13/h3-6H,1-2H3,(H,16,17,18)
InChIKeyNCDKJENCUQSRIE-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.47
Rot. Bonds2

About 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile

5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile (PubChem CID 164912172) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
PubChem CID164912172
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCc1ccnc(Nc2nc(C)c(Br)cc2C#N)c1
InChIInChI=1S/C13H11BrN4/c1-8-3-4-16-12(5-8)18-13-10(7-15)6-11(14)9(2)17-13/h3-6H,1-2H3,(H,16,17,18)
InChIKeyNCDKJENCUQSRIE-UHFFFAOYSA-N
XLogP3.47
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile (CID 164912172) is 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile is Cc1ccnc(Nc2nc(C)c(Br)cc2C#N)c1.
What is the InChIKey of 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The InChIKey is NCDKJENCUQSRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-3-4-16-12(5-8)18-13-10(7-15)6-11(14)9(2)17-13/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-[(4-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 164912172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).