4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile

C14H15N5 — CID 62845586

IUPAC4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cnc(CNc2nc(C)cc(C)c2C#N)cn1
InChIInChI=1S/C14H15N5/c1-9-4-10(2)19-14(13(9)5-15)18-8-12-7-16-11(3)6-17-12/h4,6-7H,8H2,1-3H3,(H,18,19)
InChIKeyIKGHTCACDDFXGS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.28
Rot. Bonds3

About 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile

4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 62845586) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID62845586
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cnc(CNc2nc(C)cc(C)c2C#N)cn1
InChIInChI=1S/C14H15N5/c1-9-4-10(2)19-14(13(9)5-15)18-8-12-7-16-11(3)6-17-12/h4,6-7H,8H2,1-3H3,(H,18,19)
InChIKeyIKGHTCACDDFXGS-UHFFFAOYSA-N
XLogP2.28
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile (CID 62845586) is 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile is Cc1cnc(CNc2nc(C)cc(C)c2C#N)cn1.
What is the InChIKey of 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is IKGHTCACDDFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-4-10(2)19-14(13(9)5-15)18-8-12-7-16-11(3)6-17-12/h4,6-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62845586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).