4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile

C17H20N4 — CID 43697331

IUPAC4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
SMILESCCN(CC)c1ccc(NCc2ccc(C#N)cc2)cn1
InChIInChI=1S/C17H20N4/c1-3-21(4-2)17-10-9-16(13-20-17)19-12-15-7-5-14(11-18)6-8-15/h5-10,13,19H,3-4,12H2,1-2H3
InChIKeyMMGZCDSFXIMQIN-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.41
Rot. Bonds6

About 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile

4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile (PubChem CID 43697331) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
PubChem CID43697331
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
SMILESCCN(CC)c1ccc(NCc2ccc(C#N)cc2)cn1
InChIInChI=1S/C17H20N4/c1-3-21(4-2)17-10-9-16(13-20-17)19-12-15-7-5-14(11-18)6-8-15/h5-10,13,19H,3-4,12H2,1-2H3
InChIKeyMMGZCDSFXIMQIN-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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Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile (CID 43697331) is 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile is CCN(CC)c1ccc(NCc2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile?
The InChIKey is MMGZCDSFXIMQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-21(4-2)17-10-9-16(13-20-17)19-12-15-7-5-14(11-18)6-8-15/h5-10,13,19H,3-4,12H2,1-2H3.
What are the key properties of 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile?
4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]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 4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile is sourced from PubChem (CID 43697331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).