N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide

C20H25N3O2 — CID 50970966

IUPACN-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide
SMILESCNc1ncccc1[C@@H]1C[C@H](NC(C)=O)C[C@H](Cc2ccccc2)O1
InChIInChI=1S/C20H25N3O2/c1-14(24)23-16-12-17(11-15-7-4-3-5-8-15)25-19(13-16)18-9-6-10-22-20(18)21-2/h3-10,16-17,19H,11-13H2,1-2H3,(H,21,22)(H,23,24)/t16-,17+,19+/m1/s1
InChIKeySNDUSLBVGUQOQH-AOIWGVFYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds5

About N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide (PubChem CID 50970966) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide
PubChem CID50970966
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide
SMILESCNc1ncccc1[C@@H]1C[C@H](NC(C)=O)C[C@H](Cc2ccccc2)O1
InChIInChI=1S/C20H25N3O2/c1-14(24)23-16-12-17(11-15-7-4-3-5-8-15)25-19(13-16)18-9-6-10-22-20(18)21-2/h3-10,16-17,19H,11-13H2,1-2H3,(H,21,22)(H,23,24)/t16-,17+,19+/m1/s1
InChIKeySNDUSLBVGUQOQH-AOIWGVFYSA-N
XLogP3.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide (CID 50970966) is N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide is CNc1ncccc1[C@@H]1C[C@H](NC(C)=O)C[C@H](Cc2ccccc2)O1.
What is the InChIKey of N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide?
The InChIKey is SNDUSLBVGUQOQH-AOIWGVFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(24)23-16-12-17(11-15-7-4-3-5-8-15)25-19(13-16)18-9-6-10-22-20(18)21-2/h3-10,16-17,19H,11-13H2,1-2H3,(H,21,22)(H,23,24)/t16-,17+,19+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-benzyl-6-[2-(methylamino)-3-pyridinyl]oxan-4-yl]acetamide is sourced from PubChem (CID 50970966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).