4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile

C16H17N3 — CID 81407237

IUPAC4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
SMILESCC(N[C@H](C)c1cccnc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H17N3/c1-12(15-7-5-14(10-17)6-8-15)19-13(2)16-4-3-9-18-11-16/h3-9,11-13,19H,1-2H3/t12?,13-/m1/s1
InChIKeyKVQVSAQWTPBMDM-ZGTCLIOFSA-N
MW251.33 g/mol
LogP3.37
Rot. Bonds4

About 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile

4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile (PubChem CID 81407237) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
PubChem CID81407237
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
SMILESCC(N[C@H](C)c1cccnc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H17N3/c1-12(15-7-5-14(10-17)6-8-15)19-13(2)16-4-3-9-18-11-16/h3-9,11-13,19H,1-2H3/t12?,13-/m1/s1
InChIKeyKVQVSAQWTPBMDM-ZGTCLIOFSA-N
XLogP3.37
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]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

(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
4-[1-hydroxy-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81403976
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
1-(4-methylsulfanylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139134
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile
CID 14231171
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile (CID 81407237) is 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile is CC(N[C@H](C)c1cccnc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile?
The InChIKey is KVQVSAQWTPBMDM-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(15-7-5-14(10-17)6-8-15)19-13(2)16-4-3-9-18-11-16/h3-9,11-13,19H,1-2H3/t12?,13-/m1/s1.
What are the key properties of 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile?
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 81407237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).