(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone

C17H16N2O3 — CID 661572

IUPAC(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1
InChIInChI=1S/C17H16N2O3/c1-9-8-10(2)19-17-13(9)14(18)16(22-17)15(20)11-4-6-12(21-3)7-5-11/h4-8H,18H2,1-3H3
InChIKeyAMKVXAWDJOOXNT-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.27
Rot. Bonds3

About (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone

(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 661572) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
PubChem CID661572
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1
InChIInChI=1S/C17H16N2O3/c1-9-8-10(2)19-17-13(9)14(18)16(22-17)15(20)11-4-6-12(21-3)7-5-11/h4-8H,18H2,1-3H3
InChIKeyAMKVXAWDJOOXNT-UHFFFAOYSA-N
XLogP3.27
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone (CID 661572) is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1.
What is the InChIKey of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is AMKVXAWDJOOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-9-8-10(2)19-17-13(9)14(18)16(22-17)15(20)11-4-6-12(21-3)7-5-11/h4-8H,18H2,1-3H3.
What are the key properties of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone?
(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 296.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 661572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).