4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile

C13H17N3O2 — CID 785375

IUPAC4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N2CCOCC2)c1C#N
InChIInChI=1S/C13H17N3O2/c1-10-7-11(9-17-2)12(8-14)13(15-10)16-3-5-18-6-4-16/h7H,3-6,9H2,1-2H3
InChIKeyDHGUVBKFYXIQJP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.24
Rot. Bonds3

About 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 785375) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID785375
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N2CCOCC2)c1C#N
InChIInChI=1S/C13H17N3O2/c1-10-7-11(9-17-2)12(8-14)13(15-10)16-3-5-18-6-4-16/h7H,3-6,9H2,1-2H3
InChIKeyDHGUVBKFYXIQJP-UHFFFAOYSA-N
XLogP1.24
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile (CID 785375) is 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile is COCc1cc(C)nc(N2CCOCC2)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is DHGUVBKFYXIQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-7-11(9-17-2)12(8-14)13(15-10)16-3-5-18-6-4-16/h7H,3-6,9H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 785375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).