3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile

C16H19N5 — CID 104532059

IUPAC3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESCCNc1cncc(N(CCC#N)Cc2cccnc2)c1
InChIInChI=1S/C16H19N5/c1-2-20-15-9-16(12-19-11-15)21(8-4-6-17)13-14-5-3-7-18-10-14/h3,5,7,9-12,20H,2,4,8,13H2,1H3
InChIKeyZEQODVGEKDNLIZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.83
Rot. Bonds7

About 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile

3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile (PubChem CID 104532059) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile
PubChem CID104532059
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESCCNc1cncc(N(CCC#N)Cc2cccnc2)c1
InChIInChI=1S/C16H19N5/c1-2-20-15-9-16(12-19-11-15)21(8-4-6-17)13-14-5-3-7-18-10-14/h3,5,7,9-12,20H,2,4,8,13H2,1H3
InChIKeyZEQODVGEKDNLIZ-UHFFFAOYSA-N
XLogP2.83
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 43132705
3-[4-(chloromethyl)-3-methyl-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 62129965
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80610163
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
3-[(6-aminopyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80754888
3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80916650
3-[2-(chloromethyl)-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 28946190
2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-fluorobenzonitrile
CID 63669035
3-[(2-chloropyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 62338506
3-[(5-amino-1H-pyrazol-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114991577
3-[(5-bromopyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 66340342
3-[(5,6-diamino-2-pyridinyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 79822623

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile (CID 104532059) is 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile is CCNc1cncc(N(CCC#N)Cc2cccnc2)c1.
What is the InChIKey of 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile?
The InChIKey is ZEQODVGEKDNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-20-15-9-16(12-19-11-15)21(8-4-6-17)13-14-5-3-7-18-10-14/h3,5,7,9-12,20H,2,4,8,13H2,1H3.
What are the key properties of 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile?
3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile has a molecular weight of 281.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 104532059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).