4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile

C16H21N3O3 — CID 97003305

IUPAC4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)n1
InChIInChI=1S/C16H21N3O3/c1-10-5-15(14(6-17)13(4)18-10)21-9-16(20)19-7-11(2)22-12(3)8-19/h5,11-12H,7-9H2,1-4H3/t11-,12+
InChIKeySYFHZRBSBHXJLF-TXEJJXNPSA-N
MW303.36 g/mol
LogP1.58
Rot. Bonds3

About 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile

4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 97003305) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID97003305
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)n1
InChIInChI=1S/C16H21N3O3/c1-10-5-15(14(6-17)13(4)18-10)21-9-16(20)19-7-11(2)22-12(3)8-19/h5,11-12H,7-9H2,1-4H3/t11-,12+
InChIKeySYFHZRBSBHXJLF-TXEJJXNPSA-N
XLogP1.58
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile (CID 97003305) is 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)n1.
What is the InChIKey of 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SYFHZRBSBHXJLF-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-5-15(14(6-17)13(4)18-10)21-9-16(20)19-7-11(2)22-12(3)8-19/h5,11-12H,7-9H2,1-4H3/t11-,12+.
What are the key properties of 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 303.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 97003305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).