4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile

C16H18N4 — CID 43690575

IUPAC4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
SMILESCC(Nc1ccc(N(C)C)nc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H18N4/c1-12(14-6-4-13(10-17)5-7-14)19-15-8-9-16(18-11-15)20(2)3/h4-9,11-12,19H,1-3H3
InChIKeyMTOKVUALELUGQB-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.19
Rot. Bonds4

About 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile

4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile (PubChem CID 43690575) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
PubChem CID43690575
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
SMILESCC(Nc1ccc(N(C)C)nc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H18N4/c1-12(14-6-4-13(10-17)5-7-14)19-15-8-9-16(18-11-15)20(2)3/h4-9,11-12,19H,1-3H3
InChIKeyMTOKVUALELUGQB-UHFFFAOYSA-N
XLogP3.19
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43782624
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile
CID 82795079
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
4-[1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 133373799
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzonitrile
CID 43540037
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782617
4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile
CID 43680303
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690375

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile (CID 43690575) is 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile is CC(Nc1ccc(N(C)C)nc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile?
The InChIKey is MTOKVUALELUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(14-6-4-13(10-17)5-7-14)19-15-8-9-16(18-11-15)20(2)3/h4-9,11-12,19H,1-3H3.
What are the key properties of 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile?
4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 43690575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).