7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C15H19N3O2 — CID 800429

IUPAC7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(N3CCOCC3)c(C#N)cc2CO1
InChIInChI=1S/C15H19N3O2/c1-15(2)8-13-12(10-20-15)7-11(9-16)14(17-13)18-3-5-19-6-4-18/h7H,3-6,8,10H2,1-2H3
InChIKeyMQVYLWPNIPHWST-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.64
Rot. Bonds1

About 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 800429) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID800429
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(N3CCOCC3)c(C#N)cc2CO1
InChIInChI=1S/C15H19N3O2/c1-15(2)8-13-12(10-20-15)7-11(9-16)14(17-13)18-3-5-19-6-4-18/h7H,3-6,8,10H2,1-2H3
InChIKeyMQVYLWPNIPHWST-UHFFFAOYSA-N
XLogP1.64
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 800429) is 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC1(C)Cc2nc(N3CCOCC3)c(C#N)cc2CO1.
What is the InChIKey of 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is MQVYLWPNIPHWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)8-13-12(10-20-15)7-11(9-16)14(17-13)18-3-5-19-6-4-18/h7H,3-6,8,10H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 800429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).