3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile

C17H20N4 — CID 62983329

IUPAC3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
SMILESCCCNc1ccc(CN(C)c2cccc(C#N)c2)cn1
InChIInChI=1S/C17H20N4/c1-3-9-19-17-8-7-15(12-20-17)13-21(2)16-6-4-5-14(10-16)11-18/h4-8,10,12H,3,9,13H2,1-2H3,(H,19,20)
InChIKeyAPNDILGQVCZQEJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.41
Rot. Bonds6

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

3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile (PubChem CID 62983329) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
PubChem CID62983329
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
SMILESCCCNc1ccc(CN(C)c2cccc(C#N)c2)cn1
InChIInChI=1S/C17H20N4/c1-3-9-19-17-8-7-15(12-20-17)13-21(2)16-6-4-5-14(10-16)11-18/h4-8,10,12H,3,9,13H2,1-2H3,(H,19,20)
InChIKeyAPNDILGQVCZQEJ-UHFFFAOYSA-N
XLogP3.41
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62981948
3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
CID 62981075
N-ethyl-5-[(3-fluoro-N-methylanilino)methyl]pyridin-2-amine
CID 62207366
3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62982980
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
3-[methyl-[3-(propylamino)propyl]amino]benzonitrile
CID 62982409
3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile
CID 62983506
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 62183942
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile?
The IUPAC name of 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile (CID 62983329) is 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile.
What is the SMILES notation for 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile?
The canonical SMILES for 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile is CCCNc1ccc(CN(C)c2cccc(C#N)c2)cn1.
What is the InChIKey of 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile?
The InChIKey is APNDILGQVCZQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-9-19-17-8-7-15(12-20-17)13-21(2)16-6-4-5-14(10-16)11-18/h4-8,10,12H,3,9,13H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile?
3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile has a molecular weight of 280.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile is sourced from PubChem (CID 62983329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).