3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile

C18H21N3 — CID 74229300

IUPAC3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CCCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C18H21N3/c19-11-6-14-21(16-18-9-4-12-20-15-18)13-5-10-17-7-2-1-3-8-17/h1-4,7-9,12,15H,5-6,10,13-14,16H2
InChIKeyIHAVEBRDPFIGOQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.43
Rot. Bonds8

About 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile

3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile (PubChem CID 74229300) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile
PubChem CID74229300
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CCCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C18H21N3/c19-11-6-14-21(16-18-9-4-12-20-15-18)13-5-10-17-7-2-1-3-8-17/h1-4,7-9,12,15H,5-6,10,13-14,16H2
InChIKeyIHAVEBRDPFIGOQ-UHFFFAOYSA-N
XLogP3.43
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(bromomethyl)cyclopropyl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 65013487
3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 61386099
3-[(3-bromo-2-methylpropyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 64995711
4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63885763
4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-ethylbut-2-enoic acid
CID 77102304
3-[(2-bromo-3,3,3-trifluoropropyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 64758935
3-[3-(2-methoxyphenyl)prop-2-enyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 3780782
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
3-[(2-amino-6-bromophenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 43168952
3-[(2-amino-5-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 43443738
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626812

Frequently Asked Questions

What is the IUPAC name of 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile (CID 74229300) is 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile is N#CCCN(CCCc1ccccc1)Cc1cccnc1.
What is the InChIKey of 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile?
The InChIKey is IHAVEBRDPFIGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c19-11-6-14-21(16-18-9-4-12-20-15-18)13-5-10-17-7-2-1-3-8-17/h1-4,7-9,12,15H,5-6,10,13-14,16H2.
What are the key properties of 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile?
3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile has a molecular weight of 279.39 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 74229300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).