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

C13H13N5 — CID 62995291

IUPAC5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(CNc2ncc(N)cc2C#N)cn1
InChIInChI=1S/C13H13N5/c1-9-2-3-10(6-16-9)7-17-13-11(5-14)4-12(15)8-18-13/h2-4,6,8H,7,15H2,1H3,(H,17,18)
InChIKeyIPMWZBCHRAKJMS-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.85
Rot. Bonds3

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

5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile (PubChem CID 62995291) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
PubChem CID62995291
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(CNc2ncc(N)cc2C#N)cn1
InChIInChI=1S/C13H13N5/c1-9-2-3-10(6-16-9)7-17-13-11(5-14)4-12(15)8-18-13/h2-4,6,8H,7,15H2,1H3,(H,17,18)
InChIKeyIPMWZBCHRAKJMS-UHFFFAOYSA-N
XLogP1.85
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile (CID 62995291) is 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile is Cc1ccc(CNc2ncc(N)cc2C#N)cn1.
What is the InChIKey of 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is IPMWZBCHRAKJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-2-3-10(6-16-9)7-17-13-11(5-14)4-12(15)8-18-13/h2-4,6,8H,7,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile?
5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62995291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).