3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile

C16H18N4 — CID 62981075

IUPAC3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
SMILESCCNc1cc(CN(C)c2cccc(C#N)c2)ccn1
InChIInChI=1S/C16H18N4/c1-3-18-16-10-14(7-8-19-16)12-20(2)15-6-4-5-13(9-15)11-17/h4-10H,3,12H2,1-2H3,(H,18,19)
InChIKeyDEHBVTHLGZCWEX-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.02
Rot. Bonds5

About 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile

3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile (PubChem CID 62981075) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
PubChem CID62981075
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
SMILESCCNc1cc(CN(C)c2cccc(C#N)c2)ccn1
InChIInChI=1S/C16H18N4/c1-3-18-16-10-14(7-8-19-16)12-20(2)15-6-4-5-13(9-15)11-17/h4-10H,3,12H2,1-2H3,(H,18,19)
InChIKeyDEHBVTHLGZCWEX-UHFFFAOYSA-N
XLogP3.02
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62983329
3-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80824345
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
CID 79260472
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
CID 62465648
3-[(3-amino-4-bromophenyl)methyl-methylamino]benzonitrile
CID 115557175
3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile
CID 62983506
3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 62968974
N-ethyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075650
4-[(3-cyano-N-methylanilino)methyl]benzoic acid
CID 62981168

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile?
The IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile (CID 62981075) is 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile.
What is the SMILES notation for 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile?
The canonical SMILES for 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile is CCNc1cc(CN(C)c2cccc(C#N)c2)ccn1.
What is the InChIKey of 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile?
The InChIKey is DEHBVTHLGZCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-18-16-10-14(7-8-19-16)12-20(2)15-6-4-5-13(9-15)11-17/h4-10H,3,12H2,1-2H3,(H,18,19).
What are the key properties of 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile?
3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile is sourced from PubChem (CID 62981075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).