8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C18H25N3O2 — CID 123139717

IUPAC8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(N2CC(C)OC(C)C2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C18H25N3O2/c1-11-8-21(9-12(2)23-11)17-16-10-22-18(4,5)6-14(16)15(7-19)13(3)20-17/h11-12H,6,8-10H2,1-5H3
InChIKeyKHHZGVRGVDHAGS-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.73
Rot. Bonds1

About 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 123139717) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID123139717
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1nc(N2CC(C)OC(C)C2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C18H25N3O2/c1-11-8-21(9-12(2)23-11)17-16-10-22-18(4,5)6-14(16)15(7-19)13(3)20-17/h11-12H,6,8-10H2,1-5H3
InChIKeyKHHZGVRGVDHAGS-UHFFFAOYSA-N
XLogP2.73
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 123139717) is 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1nc(N2CC(C)OC(C)C2)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is KHHZGVRGVDHAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-8-21(9-12(2)23-11)17-16-10-22-18(4,5)6-14(16)15(7-19)13(3)20-17/h11-12H,6,8-10H2,1-5H3.
What are the key properties of 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 123139717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).