6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile

C16H24N4O3 — CID 138527999

IUPAC6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile
SMILESCNCC1COCC(C)N1CC(O)c1cc(OC)c(C#N)cn1
InChIInChI=1S/C16H24N4O3/c1-11-9-23-10-13(7-18-2)20(11)8-15(21)14-4-16(22-3)12(5-17)6-19-14/h4,6,11,13,15,18,21H,7-10H2,1-3H3
InChIKeyWMEWWRHDYRPYEW-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.30
Rot. Bonds6

About 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile

6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile (PubChem CID 138527999) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile
PubChem CID138527999
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile
SMILESCNCC1COCC(C)N1CC(O)c1cc(OC)c(C#N)cn1
InChIInChI=1S/C16H24N4O3/c1-11-9-23-10-13(7-18-2)20(11)8-15(21)14-4-16(22-3)12(5-17)6-19-14/h4,6,11,13,15,18,21H,7-10H2,1-3H3
InChIKeyWMEWWRHDYRPYEW-UHFFFAOYSA-N
XLogP0.30
TPSA90.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile (CID 138527999) is 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile is CNCC1COCC(C)N1CC(O)c1cc(OC)c(C#N)cn1.
What is the InChIKey of 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile?
The InChIKey is WMEWWRHDYRPYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-9-23-10-13(7-18-2)20(11)8-15(21)14-4-16(22-3)12(5-17)6-19-14/h4,6,11,13,15,18,21H,7-10H2,1-3H3.
What are the key properties of 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile?
6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile has a molecular weight of 320.39 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-2-[3-methyl-5-(methylaminomethyl)morpholin-4-yl]ethyl]-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 138527999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).