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

C16H13FN2O2 — CID 778172

IUPAC(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1
InChIInChI=1S/C16H13FN2O2/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
InChIKeyIBODDJLGVKYUBJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.40
Rot. Bonds2

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

(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone (PubChem CID 778172) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone
PubChem CID778172
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1
InChIInChI=1S/C16H13FN2O2/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
InChIKeyIBODDJLGVKYUBJ-UHFFFAOYSA-N
XLogP3.40
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 705157
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1075883
Methanone, (1-amino-8,9-dihydro-8,8-dimethyl-5-propyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1894276
N-(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-pivaloylfuro[2,3-b]pyridin-3-yl)acetamide
CID 10367921
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-bromophenyl)methanone
CID 951305
Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-
CID 657892
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-chlorophenyl)-
CID 1900637
Ethyl 1-amino-5-(2-methylpropyl)-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carboxylate
CID 1864299
Ethyl 3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinoline-2-carboxylate
CID 1977359
3-Amino-4-(2-furyl)-6-phenylfuro[2,3-b]pyridine-2-carbohydrazide
CID 2816502
10-methyl-4,8-diphenyl-3,4-dihydro-1H-pyrido[3',2':4,5]furo[3,2-e][1,4]diazepine-2,5-dione
CID 2816989
10-methyl-4-(4-methylphenyl)-8-phenyl-3,4-dihydro-1H-pyrido[3',2':4,5]furo[3,2-e][1,4]diazepine-2,5-dione
CID 2817074

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone (CID 778172) is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone is Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1.
What is the InChIKey of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone?
The InChIKey is IBODDJLGVKYUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/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-fluorophenyl)methanone?
(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone has a molecular weight of 284.29 g/mol, XLogP of 3.40, 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-fluorophenyl)methanone is sourced from PubChem (CID 778172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).