6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile

C13H13N5 — CID 86803675

IUPAC6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(Cc1ccc(N)nc1)c1cccc(C#N)n1
InChIInChI=1S/C13H13N5/c1-18(9-10-5-6-12(15)16-8-10)13-4-2-3-11(7-14)17-13/h2-6,8H,9H2,1H3,(H2,15,16)
InChIKeyDXICGIQMHJPDCV-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.57
Rot. Bonds3

About 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile

6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile (PubChem CID 86803675) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile
PubChem CID86803675
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(Cc1ccc(N)nc1)c1cccc(C#N)n1
InChIInChI=1S/C13H13N5/c1-18(9-10-5-6-12(15)16-8-10)13-4-2-3-11(7-14)17-13/h2-6,8H,9H2,1H3,(H2,15,16)
InChIKeyDXICGIQMHJPDCV-UHFFFAOYSA-N
XLogP1.57
TPSA78.83 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile (CID 86803675) is 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile is CN(Cc1ccc(N)nc1)c1cccc(C#N)n1.
What is the InChIKey of 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile?
The InChIKey is DXICGIQMHJPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18(9-10-5-6-12(15)16-8-10)13-4-2-3-11(7-14)17-13/h2-6,8H,9H2,1H3,(H2,15,16).
What are the key properties of 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile?
6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-3-pyridinyl)methyl-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 86803675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).