7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C15H20N2O2 — CID 39378248

IUPAC7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC(C)COc1nc2c(cc1C#N)COC(C)(C)C2
InChIInChI=1S/C15H20N2O2/c1-10(2)8-18-14-11(7-16)5-12-9-19-15(3,4)6-13(12)17-14/h5,10H,6,8-9H2,1-4H3
InChIKeyQPLQZBQGIXESFS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds3

About 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 39378248) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID39378248
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC(C)COc1nc2c(cc1C#N)COC(C)(C)C2
InChIInChI=1S/C15H20N2O2/c1-10(2)8-18-14-11(7-16)5-12-9-19-15(3,4)6-13(12)17-14/h5,10H,6,8-9H2,1-4H3
InChIKeyQPLQZBQGIXESFS-UHFFFAOYSA-N
XLogP2.84
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 817267
ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate
CID 41063980
7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 658654
13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,7-dione
CID 15467469
2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)oxy]-1-phenylethanone
CID 1390988
2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23881945
2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxamide
CID 906260
2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207841
2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid
CID 753726
2-(2-aminoethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62347989
2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 106282983
7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
CID 167037500

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 39378248) is 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC(C)COc1nc2c(cc1C#N)COC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is QPLQZBQGIXESFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)8-18-14-11(7-16)5-12-9-19-15(3,4)6-13(12)17-14/h5,10H,6,8-9H2,1-4H3.
What are the key properties of 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 39378248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).