3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile

C13H20N4 — CID 79243775

IUPAC3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile
SMILESCCCNc1cccc(CN(C)CCC#N)n1
InChIInChI=1S/C13H20N4/c1-3-9-15-13-7-4-6-12(16-13)11-17(2)10-5-8-14/h4,6-7H,3,5,9-11H2,1-2H3,(H,15,16)
InChIKeyNTYTWCVSFQXNKV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.25
Rot. Bonds7

About 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile

3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile (PubChem CID 79243775) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile
PubChem CID79243775
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile
SMILESCCCNc1cccc(CN(C)CCC#N)n1
InChIInChI=1S/C13H20N4/c1-3-9-15-13-7-4-6-12(16-13)11-17(2)10-5-8-14/h4,6-7H,3,5,9-11H2,1-2H3,(H,15,16)
InChIKeyNTYTWCVSFQXNKV-UHFFFAOYSA-N
XLogP2.25
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile (CID 79243775) is 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile is CCCNc1cccc(CN(C)CCC#N)n1.
What is the InChIKey of 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile?
The InChIKey is NTYTWCVSFQXNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-9-15-13-7-4-6-12(16-13)11-17(2)10-5-8-14/h4,6-7H,3,5,9-11H2,1-2H3,(H,15,16).
What are the key properties of 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile?
3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile is sourced from PubChem (CID 79243775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).