4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile

C13H17N3O2 — CID 102633875

IUPAC4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
SMILESCC1CNCC(COCc2ccnc(C#N)c2)O1
InChIInChI=1S/C13H17N3O2/c1-10-6-15-7-13(18-10)9-17-8-11-2-3-16-12(4-11)5-14/h2-4,10,13,15H,6-9H2,1H3
InChIKeyUYDSCNSVIINJJM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.85
Rot. Bonds4

About 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile

4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile (PubChem CID 102633875) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
PubChem CID102633875
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
SMILESCC1CNCC(COCc2ccnc(C#N)c2)O1
InChIInChI=1S/C13H17N3O2/c1-10-6-15-7-13(18-10)9-17-8-11-2-3-16-12(4-11)5-14/h2-4,10,13,15H,6-9H2,1H3
InChIKeyUYDSCNSVIINJJM-UHFFFAOYSA-N
XLogP0.85
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(Piperidin-3-yloxy)methyl]pyridine
CID 45786849
2-(3-Pyridinyl)morpholine
CID 3818464
2-(Pyridin-2-yl)morpholine
CID 19353403
3-((4-Piperidinyloxy)methyl)pyridine
CID 20735294
3-(Methoxymethyl)picolinonitrile
CID 62919584
2-(5-Phenyl-2-pyridinyl)morpholine
CID 110270436
3-[(1-Methylpiperidin-3-yl)oxymethyl]pyridine
CID 137639541
2-(Pyridin-3-yl)morpholine dihydrochloride
CID 71692419
2-(Pyridin-4-yl)morpholine dihydrochloride
CID 71692420
rac-(2R,3S)-2-(pyridin-4-yl)oxan-3-amine
CID 124709131
2-(6-Methylpyridin-3-yl)morpholine dihydrochloride
CID 165998012
Ethyl 3-methylpyridine-2-carboximidate
CID 91526885

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile (CID 102633875) is 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile is CC1CNCC(COCc2ccnc(C#N)c2)O1.
What is the InChIKey of 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile?
The InChIKey is UYDSCNSVIINJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-6-15-7-13(18-10)9-17-8-11-2-3-16-12(4-11)5-14/h2-4,10,13,15H,6-9H2,1H3.
What are the key properties of 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile?
4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 102633875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).