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

C14H17N3O — CID 79643393

IUPAC3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1cccnc1)C1CCC(=O)C1
InChIInChI=1S/C14H17N3O/c15-6-2-8-17(13-4-5-14(18)9-13)11-12-3-1-7-16-10-12/h1,3,7,10,13H,2,4-5,8-9,11H2
InChIKeyVIQHLWHSGNIAIA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.92
Rot. Bonds5

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

3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile (PubChem CID 79643393) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile
PubChem CID79643393
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1cccnc1)C1CCC(=O)C1
InChIInChI=1S/C14H17N3O/c15-6-2-8-17(13-4-5-14(18)9-13)11-12-3-1-7-16-10-12/h1,3,7,10,13H,2,4-5,8-9,11H2
InChIKeyVIQHLWHSGNIAIA-UHFFFAOYSA-N
XLogP1.92
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788
3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 79468158
2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]cyclobutane-1-carboxylic acid
CID 80996165
4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
CID 79119944
3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 61386099
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
N-(2-cyanoethyl)-5-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60589686
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 60592086
N-(2-cyanoethyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79382834

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile (CID 79643393) is 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile is N#CCCN(Cc1cccnc1)C1CCC(=O)C1.
What is the InChIKey of 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The InChIKey is VIQHLWHSGNIAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-6-2-8-17(13-4-5-14(18)9-13)11-12-3-1-7-16-10-12/h1,3,7,10,13H,2,4-5,8-9,11H2.
What are the key properties of 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile?
3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile has a molecular weight of 243.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 79643393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).