3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C18H25N3O2 — CID 658231

IUPAC3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C18H25N3O2/c1-12(2)16-15-11-23-18(3,4)9-13(15)14(10-19)17(20-16)21-5-7-22-8-6-21/h12H,5-9,11H2,1-4H3
InChIKeyXUQJCOIWSOIRRW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.76
Rot. Bonds2

About 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 658231) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID658231
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C18H25N3O2/c1-12(2)16-15-11-23-18(3,4)9-13(15)14(10-19)17(20-16)21-5-7-22-8-6-21/h12H,5-9,11H2,1-4H3
InChIKeyXUQJCOIWSOIRRW-UHFFFAOYSA-N
XLogP2.76
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 658231) is 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is XUQJCOIWSOIRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)16-15-11-23-18(3,4)9-13(15)14(10-19)17(20-16)21-5-7-22-8-6-21/h12H,5-9,11H2,1-4H3.
What are the key properties of 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-morpholin-4-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 658231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).