6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile

C22H25N3O — CID 21251180

IUPAC6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(CCC3CCCN3C(=O)C3CCCN3)ccc2c1
InChIInChI=1S/C22H25N3O/c23-15-17-6-9-18-13-16(5-8-19(18)14-17)7-10-20-3-2-12-25(20)22(26)21-4-1-11-24-21/h5-6,8-9,13-14,20-21,24H,1-4,7,10-12H2
InChIKeyCTKLTOOCNUGZOU-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.39
Rot. Bonds4

About 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile

6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile (PubChem CID 21251180) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
PubChem CID21251180
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(CCC3CCCN3C(=O)C3CCCN3)ccc2c1
InChIInChI=1S/C22H25N3O/c23-15-17-6-9-18-13-16(5-8-19(18)14-17)7-10-20-3-2-12-25(20)22(26)21-4-1-11-24-21/h5-6,8-9,13-14,20-21,24H,1-4,7,10-12H2
InChIKeyCTKLTOOCNUGZOU-UHFFFAOYSA-N
XLogP3.39
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
CID 20640458
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
[(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 140994893
(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
[2-(methoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 121201480
1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 91248515
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
CID 103868803
ethyl 2-[(2R)-2-[(2S)-2-[2-(5-cyano-1-benzofuran-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetate
CID 70093958
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741

Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile?
The IUPAC name of 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile (CID 21251180) is 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile is N#Cc1ccc2cc(CCC3CCCN3C(=O)C3CCCN3)ccc2c1.
What is the InChIKey of 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile?
The InChIKey is CTKLTOOCNUGZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c23-15-17-6-9-18-13-16(5-8-19(18)14-17)7-10-20-3-2-12-25(20)22(26)21-4-1-11-24-21/h5-6,8-9,13-14,20-21,24H,1-4,7,10-12H2.
What are the key properties of 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile?
6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile has a molecular weight of 347.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 21251180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).