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

C17H16N2O2 — CID 951154

IUPAC(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1
InChIInChI=1S/C17H16N2O2/c1-9-4-6-12(7-5-9)15(20)16-14(18)13-10(2)8-11(3)19-17(13)21-16/h4-8H,18H2,1-3H3
InChIKeyWLKBFVLTMISDCO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.57
Rot. Bonds2

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

(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone (PubChem CID 951154) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
PubChem CID951154
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1
InChIInChI=1S/C17H16N2O2/c1-9-4-6-12(7-5-9)15(20)16-14(18)13-10(2)8-11(3)19-17(13)21-16/h4-8H,18H2,1-3H3
InChIKeyWLKBFVLTMISDCO-UHFFFAOYSA-N
XLogP3.57
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.57
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-methylphenyl)methanone?
The IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone (CID 951154) is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone is Cc1ccc(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-methylphenyl)methanone?
The InChIKey is WLKBFVLTMISDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-9-4-6-12(7-5-9)15(20)16-14(18)13-10(2)8-11(3)19-17(13)21-16/h4-8H,18H2,1-3H3.
What are the key properties of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone?
(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone has a molecular weight of 280.33 g/mol, XLogP of 3.57, 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-methylphenyl)methanone is sourced from PubChem (CID 951154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).