[3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone

C17H16N2O3 — CID 555883

IUPAC[3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESCOCc1cc(C)nc2oc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C17H16N2O3/c1-10-8-12(9-21-2)13-14(18)16(22-17(13)19-10)15(20)11-6-4-3-5-7-11/h3-8H,9,18H2,1-2H3
InChIKeyHXPUPSQXVXFINM-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.10
Rot. Bonds4

About [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone

[3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone (PubChem CID 555883) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone
PubChem CID555883
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESCOCc1cc(C)nc2oc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C17H16N2O3/c1-10-8-12(9-21-2)13-14(18)16(22-17(13)19-10)15(20)11-6-4-3-5-7-11/h3-8H,9,18H2,1-2H3
InChIKeyHXPUPSQXVXFINM-UHFFFAOYSA-N
XLogP3.10
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone?
The IUPAC name of [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone (CID 555883) is [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone?
The canonical SMILES for [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone is COCc1cc(C)nc2oc(C(=O)c3ccccc3)c(N)c12.
What is the InChIKey of [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone?
The InChIKey is HXPUPSQXVXFINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-8-12(9-21-2)13-14(18)16(22-17(13)19-10)15(20)11-6-4-3-5-7-11/h3-8H,9,18H2,1-2H3.
What are the key properties of [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone?
[3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone has a molecular weight of 296.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone is sourced from PubChem (CID 555883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).