N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide

C14H21N3O3 — CID 164632211

IUPACN-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide
SMILESCOc1cccc(CN2CCO[C@@H](CNC(C)=O)C2)n1
InChIInChI=1S/C14H21N3O3/c1-11(18)15-8-13-10-17(6-7-20-13)9-12-4-3-5-14(16-12)19-2/h3-5,13H,6-10H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyIANRUWFTNGVRSY-ZDUSSCGKSA-N
MW279.34 g/mol
LogP0.43
Rot. Bonds5

About N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide

N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide (PubChem CID 164632211) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide
PubChem CID164632211
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide
SMILESCOc1cccc(CN2CCO[C@@H](CNC(C)=O)C2)n1
InChIInChI=1S/C14H21N3O3/c1-11(18)15-8-13-10-17(6-7-20-13)9-12-4-3-5-14(16-12)19-2/h3-5,13H,6-10H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyIANRUWFTNGVRSY-ZDUSSCGKSA-N
XLogP0.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide (CID 164632211) is N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide is COc1cccc(CN2CCO[C@@H](CNC(C)=O)C2)n1.
What is the InChIKey of N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is IANRUWFTNGVRSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11(18)15-8-13-10-17(6-7-20-13)9-12-4-3-5-14(16-12)19-2/h3-5,13H,6-10H2,1-2H3,(H,15,18)/t13-/m0/s1.
What are the key properties of N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide?
N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 164632211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).