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

C16H18N4 — CID 43782624

IUPAC3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
SMILESCC(Nc1ccc(N(C)C)nc1)c1cccc(C#N)c1
InChIInChI=1S/C16H18N4/c1-12(14-6-4-5-13(9-14)10-17)19-15-7-8-16(18-11-15)20(2)3/h4-9,11-12,19H,1-3H3
InChIKeyOBUCSAKBTRRLIB-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.19
Rot. Bonds4

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

3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile (PubChem CID 43782624) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
PubChem CID43782624
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
SMILESCC(Nc1ccc(N(C)C)nc1)c1cccc(C#N)c1
InChIInChI=1S/C16H18N4/c1-12(14-6-4-5-13(9-14)10-17)19-15-7-8-16(18-11-15)20(2)3/h4-9,11-12,19H,1-3H3
InChIKeyOBUCSAKBTRRLIB-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

4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43690575
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
CID 133333165
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
2-chloro-5-[1-(3-cyanophenyl)ethylamino]benzonitrile
CID 43781788
3-[1-[4-(dimethylamino)-2-methylanilino]ethyl]benzonitrile
CID 43779661
3-[1-[3-[(dimethylamino)methyl]phenyl]ethylamino]benzonitrile
CID 126821703
3-[1-(3-chloro-4-ethoxyanilino)ethyl]benzonitrile
CID 60943016
3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile
CID 107649329
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
3-(1-hydrazinylethyl)benzonitrile
CID 63990931
3-[1-(3,4-dichlorophenyl)ethylamino]benzonitrile
CID 43106768

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile?
The IUPAC name of 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile (CID 43782624) is 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile?
The canonical SMILES for 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile is CC(Nc1ccc(N(C)C)nc1)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile?
The InChIKey is OBUCSAKBTRRLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(14-6-4-5-13(9-14)10-17)19-15-7-8-16(18-11-15)20(2)3/h4-9,11-12,19H,1-3H3.
What are the key properties of 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile?
3-[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 3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 43782624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).