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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 103823681
2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine
CID 66407638
4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile
CID 43675232
2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 81432293
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
CID 109379854
4-[[[5-(propylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 104534184
2-[4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64828612
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
4-(anilinomethyl)benzonitrile
CID 11148468
4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 113278299

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).