6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C18H19N3O2 — CID 51981722

IUPAC6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c([C@H]2CCCN2c2ccc(C#N)cn2)c1
InChIInChI=1S/C18H19N3O2/c1-22-14-6-7-17(23-2)15(10-14)16-4-3-9-21(16)18-8-5-13(11-19)12-20-18/h5-8,10,12,16H,3-4,9H2,1-2H3/t16-/m1/s1
InChIKeyWYYXXMPWNCNOSG-MRXNPFEDSA-N
MW309.37 g/mol
LogP3.31
Rot. Bonds4

About 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 51981722) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID51981722
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c([C@H]2CCCN2c2ccc(C#N)cn2)c1
InChIInChI=1S/C18H19N3O2/c1-22-14-6-7-17(23-2)15(10-14)16-4-3-9-21(16)18-8-5-13(11-19)12-20-18/h5-8,10,12,16H,3-4,9H2,1-2H3/t16-/m1/s1
InChIKeyWYYXXMPWNCNOSG-MRXNPFEDSA-N
XLogP3.31
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-5-nitropyridine
CID 16796297
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 154860103
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 125140665
4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 51131874
3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 9333293
6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 133345289
N-(3-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835103
N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835101
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-fluorophenoxy)pyrimidine
CID 56575728
4-(5-cyano-2-pyridinyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide
CID 4996157
4-chloro-2-cyclopropyl-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyrimidine
CID 133432242
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile
CID 75483989

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 51981722) is 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is COc1ccc(OC)c([C@H]2CCCN2c2ccc(C#N)cn2)c1.
What is the InChIKey of 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WYYXXMPWNCNOSG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-14-6-7-17(23-2)15(10-14)16-4-3-9-21(16)18-8-5-13(11-19)12-20-18/h5-8,10,12,16H,3-4,9H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 51981722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).