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

C22H25N3O2 — CID 657654

IUPAC8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCOCC3)nc(Cc3ccccc3)c2CO1
InChIInChI=1S/C22H25N3O2/c1-22(2)13-17-18(14-23)21(25-8-10-26-11-9-25)24-20(19(17)15-27-22)12-16-6-4-3-5-7-16/h3-7H,8-13,15H2,1-2H3
InChIKeySLYSTUIBVVGQRW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.23
Rot. Bonds3

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

8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 657654) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID657654
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCOCC3)nc(Cc3ccccc3)c2CO1
InChIInChI=1S/C22H25N3O2/c1-22(2)13-17-18(14-23)21(25-8-10-26-11-9-25)24-20(19(17)15-27-22)12-16-6-4-3-5-7-16/h3-7H,8-13,15H2,1-2H3
InChIKeySLYSTUIBVVGQRW-UHFFFAOYSA-N
XLogP3.23
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 657654) is 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(Cc3ccccc3)c2CO1.
What is the InChIKey of 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is SLYSTUIBVVGQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2)13-17-18(14-23)21(25-8-10-26-11-9-25)24-20(19(17)15-27-22)12-16-6-4-3-5-7-16/h3-7H,8-13,15H2,1-2H3.
What are the key properties of 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 363.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3,3-dimethyl-6-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 657654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).