3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile

C19H21N3O — CID 3780782

IUPAC3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESCOc1ccccc1C=CCN(CCC#N)Cc1cccnc1
InChIInChI=1S/C19H21N3O/c1-23-19-10-3-2-8-18(19)9-5-13-22(14-6-11-20)16-17-7-4-12-21-15-17/h2-5,7-10,12,15H,6,13-14,16H2,1H3
InChIKeyLQGFRPWWBAAVPV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.52
Rot. Bonds8

About 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile

3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile (PubChem CID 3780782) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile
PubChem CID3780782
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESCOc1ccccc1C=CCN(CCC#N)Cc1cccnc1
InChIInChI=1S/C19H21N3O/c1-23-19-10-3-2-8-18(19)9-5-13-22(14-6-11-20)16-17-7-4-12-21-15-17/h2-5,7-10,12,15H,6,13-14,16H2,1H3
InChIKeyLQGFRPWWBAAVPV-UHFFFAOYSA-N
XLogP3.52
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile 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

3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile
CID 74229300
3-[(2-amino-5-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 43443738
4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-ethylbut-2-enoic acid
CID 77102304
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
3-[(3-bromo-2-methylpropyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 64995711
[4-[3-[bis(pyridin-3-ylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] acetate
CID 3641524
3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 61386099
3-[[1-(bromomethyl)cyclopropyl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 65013487
3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626812
2-[2-(2-methoxyphenyl)ethenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 4750462
2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 6200318
4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63885763

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile (CID 3780782) is 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile is COc1ccccc1C=CCN(CCC#N)Cc1cccnc1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile?
The InChIKey is LQGFRPWWBAAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-23-19-10-3-2-8-18(19)9-5-13-22(14-6-11-20)16-17-7-4-12-21-15-17/h2-5,7-10,12,15H,6,13-14,16H2,1H3.
What are the key properties of 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile?
3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile has a molecular weight of 307.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 3780782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).