3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile

C14H20N4 — CID 61386099

IUPAC3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CCNC1CC1)Cc1cccnc1
InChIInChI=1S/C14H20N4/c15-6-2-9-18(10-8-17-14-4-5-14)12-13-3-1-7-16-11-13/h1,3,7,11,14,17H,2,4-5,8-10,12H2
InChIKeyUJSCQNBHPPVXAO-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.55
Rot. Bonds8

About 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile

3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile (PubChem CID 61386099) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
PubChem CID61386099
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CCNC1CC1)Cc1cccnc1
InChIInChI=1S/C14H20N4/c15-6-2-9-18(10-8-17-14-4-5-14)12-13-3-1-7-16-11-13/h1,3,7,11,14,17H,2,4-5,8-10,12H2
InChIKeyUJSCQNBHPPVXAO-UHFFFAOYSA-N
XLogP1.55
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788
3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile
CID 74229300
3-[[1-(bromomethyl)cyclopropyl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 65013487
3-[(3-bromo-2-methylpropyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 64995711
3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626812
4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63885763
1-(2-cyanoethyl)-3-cyclohexyl-1-(pyridin-3-ylmethyl)thiourea
CID 3968740
3-[(2-bromo-3,3,3-trifluoropropyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 64758935
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80610163
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile (CID 61386099) is 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile is N#CCCN(CCNC1CC1)Cc1cccnc1.
What is the InChIKey of 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile?
The InChIKey is UJSCQNBHPPVXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-6-2-9-18(10-8-17-14-4-5-14)12-13-3-1-7-16-11-13/h1,3,7,11,14,17H,2,4-5,8-10,12H2.
What are the key properties of 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile?
3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile has a molecular weight of 244.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 61386099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).