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

C21H23N3O2 — CID 657704

IUPAC3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccccc3)c2CO1
InChIInChI=1S/C21H23N3O2/c1-21(2)12-16-17(13-22)20(24-8-10-25-11-9-24)23-19(18(16)14-26-21)15-6-4-3-5-7-15/h3-7H,8-12,14H2,1-2H3
InChIKeyNDSKJDZBHQLUIC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.31
Rot. Bonds2

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

3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 657704) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID657704
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccccc3)c2CO1
InChIInChI=1S/C21H23N3O2/c1-21(2)12-16-17(13-22)20(24-8-10-25-11-9-24)23-19(18(16)14-26-21)15-6-4-3-5-7-15/h3-7H,8-12,14H2,1-2H3
InChIKeyNDSKJDZBHQLUIC-UHFFFAOYSA-N
XLogP3.31
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.31
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-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 657704) is 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccccc3)c2CO1.
What is the InChIKey of 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is NDSKJDZBHQLUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2)12-16-17(13-22)20(24-8-10-25-11-9-24)23-19(18(16)14-26-21)15-6-4-3-5-7-15/h3-7H,8-12,14H2,1-2H3.
What are the key properties of 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 349.43 g/mol, XLogP of 3.31, 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-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 657704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).