2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile

C13H13N5 — CID 114766216

IUPAC2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cnc(CNc2cc(C#N)cc(C)n2)cn1
InChIInChI=1S/C13H13N5/c1-9-3-11(5-14)4-13(18-9)17-8-12-7-15-10(2)6-16-12/h3-4,6-7H,8H2,1-2H3,(H,17,18)
InChIKeyPSZFLHRJICJOCY-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.97
Rot. Bonds3

About 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile

2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 114766216) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID114766216
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cnc(CNc2cc(C#N)cc(C)n2)cn1
InChIInChI=1S/C13H13N5/c1-9-3-11(5-14)4-13(18-9)17-8-12-7-15-10(2)6-16-12/h3-4,6-7H,8H2,1-2H3,(H,17,18)
InChIKeyPSZFLHRJICJOCY-UHFFFAOYSA-N
XLogP1.97
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 62845592
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80919004
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80825317
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
(5-methylpyrazin-2-yl)methylcyanamide
CID 62846273
2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
CID 114769974
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile
CID 62846098
4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 106997265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile (CID 114766216) is 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile is Cc1cnc(CNc2cc(C#N)cc(C)n2)cn1.
What is the InChIKey of 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is PSZFLHRJICJOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-3-11(5-14)4-13(18-9)17-8-12-7-15-10(2)6-16-12/h3-4,6-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile?
2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114766216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).