2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

C17H24N4O — CID 99714406

IUPAC2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(C[C@@H]2CCCN2c2ncccc2C#N)C[C@H](C)O1
InChIInChI=1S/C17H24N4O/c1-13-10-20(11-14(2)22-13)12-16-6-4-8-21(16)17-15(9-18)5-3-7-19-17/h3,5,7,13-14,16H,4,6,8,10-12H2,1-2H3/t13-,14+,16-/m0/s1
InChIKeySOWXSXGEIDOUSK-LZWOXQAQSA-N
MW300.41 g/mol
LogP2.03
Rot. Bonds3

About 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 99714406) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID99714406
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(C[C@@H]2CCCN2c2ncccc2C#N)C[C@H](C)O1
InChIInChI=1S/C17H24N4O/c1-13-10-20(11-14(2)22-13)12-16-6-4-8-21(16)17-15(9-18)5-3-7-19-17/h3,5,7,13-14,16H,4,6,8,10-12H2,1-2H3/t13-,14+,16-/m0/s1
InChIKeySOWXSXGEIDOUSK-LZWOXQAQSA-N
XLogP2.03
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 99714406) is 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is C[C@@H]1CN(C[C@@H]2CCCN2c2ncccc2C#N)C[C@H](C)O1.
What is the InChIKey of 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SOWXSXGEIDOUSK-LZWOXQAQSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-10-20(11-14(2)22-13)12-16-6-4-8-21(16)17-15(9-18)5-3-7-19-17/h3,5,7,13-14,16H,4,6,8,10-12H2,1-2H3/t13-,14+,16-/m0/s1.
What are the key properties of 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 99714406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).