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

C17H16N4O2 — CID 167968003

IUPAC[5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine
SMILESNC(c1ccccc1)c1noc(-c2cnc3c(c2)CCOC3)n1
InChIInChI=1S/C17H16N4O2/c18-15(11-4-2-1-3-5-11)16-20-17(23-21-16)13-8-12-6-7-22-10-14(12)19-9-13/h1-5,8-9,15H,6-7,10,18H2
InChIKeyUCUVBJOIELOGTM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.25
Rot. Bonds3

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

[5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine (PubChem CID 167968003) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine.

Molecular Properties

Compound Name[5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine
PubChem CID167968003
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name[5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine
SMILESNC(c1ccccc1)c1noc(-c2cnc3c(c2)CCOC3)n1
InChIInChI=1S/C17H16N4O2/c18-15(11-4-2-1-3-5-11)16-20-17(23-21-16)13-8-12-6-7-22-10-14(12)19-9-13/h1-5,8-9,15H,6-7,10,18H2
InChIKeyUCUVBJOIELOGTM-UHFFFAOYSA-N
XLogP2.25
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine?
The IUPAC name of [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine (CID 167968003) is [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine.
What is the SMILES notation for [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine?
The canonical SMILES for [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine is NC(c1ccccc1)c1noc(-c2cnc3c(c2)CCOC3)n1.
What is the InChIKey of [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine?
The InChIKey is UCUVBJOIELOGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-15(11-4-2-1-3-5-11)16-20-17(23-21-16)13-8-12-6-7-22-10-14(12)19-9-13/h1-5,8-9,15H,6-7,10,18H2.
What are the key properties of [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine?
[5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine has a molecular weight of 308.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine is sourced from PubChem (CID 167968003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).