1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone

C10H12N2O2 — CID 105446019

IUPAC1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1N)COCC2
InChIInChI=1S/C10H12N2O2/c1-6(13)8-4-7-2-3-14-5-9(7)12-10(8)11/h4H,2-3,5H2,1H3,(H2,11,12)
InChIKeyUKQMQKIBSUWEJI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.94
Rot. Bonds1

About 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone

1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone (PubChem CID 105446019) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone
PubChem CID105446019
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1N)COCC2
InChIInChI=1S/C10H12N2O2/c1-6(13)8-4-7-2-3-14-5-9(7)12-10(8)11/h4H,2-3,5H2,1H3,(H2,11,12)
InChIKeyUKQMQKIBSUWEJI-UHFFFAOYSA-N
XLogP0.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone (CID 105446019) is 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone is CC(=O)c1cc2c(nc1N)COCC2.
What is the InChIKey of 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone?
The InChIKey is UKQMQKIBSUWEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6(13)8-4-7-2-3-14-5-9(7)12-10(8)11/h4H,2-3,5H2,1H3,(H2,11,12).
What are the key properties of 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone?
1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone has a molecular weight of 192.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 105446019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).