4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile

C17H24N4O2 — CID 71996803

IUPAC4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCc1cc(N2CCOC(C)C2)nc(N2CCOC(C)C2)c1C#N
InChIInChI=1S/C17H24N4O2/c1-12-8-16(20-4-6-22-13(2)10-20)19-17(15(12)9-18)21-5-7-23-14(3)11-21/h8,13-14H,4-7,10-11H2,1-3H3
InChIKeyRFBQSOAHCBWCNW-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.71
Rot. Bonds2

About 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile

4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile (PubChem CID 71996803) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile
PubChem CID71996803
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCc1cc(N2CCOC(C)C2)nc(N2CCOC(C)C2)c1C#N
InChIInChI=1S/C17H24N4O2/c1-12-8-16(20-4-6-22-13(2)10-20)19-17(15(12)9-18)21-5-7-23-14(3)11-21/h8,13-14H,4-7,10-11H2,1-3H3
InChIKeyRFBQSOAHCBWCNW-UHFFFAOYSA-N
XLogP1.71
TPSA61.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile (CID 71996803) is 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile is Cc1cc(N2CCOC(C)C2)nc(N2CCOC(C)C2)c1C#N.
What is the InChIKey of 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile?
The InChIKey is RFBQSOAHCBWCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-8-16(20-4-6-22-13(2)10-20)19-17(15(12)9-18)21-5-7-23-14(3)11-21/h8,13-14H,4-7,10-11H2,1-3H3.
What are the key properties of 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile?
4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile has a molecular weight of 316.41 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(2-methylmorpholin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 71996803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).