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

C16H13BrN2O2 — CID 951305

IUPAC(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(Br)cc3)oc2n1
InChIInChI=1S/C16H13BrN2O2/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3
InChIKeyFLTAMFHJMKVYEL-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.02
Rot. Bonds2

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

(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone (PubChem CID 951305) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
PubChem CID951305
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(Br)cc3)oc2n1
InChIInChI=1S/C16H13BrN2O2/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3
InChIKeyFLTAMFHJMKVYEL-UHFFFAOYSA-N
XLogP4.02
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone (CID 951305) is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone is Cc1cc(C)c2c(N)c(C(=O)c3ccc(Br)cc3)oc2n1.
What is the InChIKey of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The InChIKey is FLTAMFHJMKVYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone has a molecular weight of 345.20 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 951305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).