2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine

C17H13N3O — CID 176956277

IUPAC2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine
SMILESCc1ccc2c(n1)oc1c(-c3ccccn3)c(N)ccc12
InChIInChI=1S/C17H13N3O/c1-10-5-6-12-11-7-8-13(18)15(14-4-2-3-9-19-14)16(11)21-17(12)20-10/h2-9H,18H2,1H3
InChIKeyYXMWSBDVWBIXTD-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.93
Rot. Bonds1

About 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine

2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine (PubChem CID 176956277) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine.

Molecular Properties

Compound Name2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine
PubChem CID176956277
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine
SMILESCc1ccc2c(n1)oc1c(-c3ccccn3)c(N)ccc12
InChIInChI=1S/C17H13N3O/c1-10-5-6-12-11-7-8-13(18)15(14-4-2-3-9-19-14)16(11)21-17(12)20-10/h2-9H,18H2,1H3
InChIKeyYXMWSBDVWBIXTD-UHFFFAOYSA-N
XLogP3.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90138452
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170401926
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90138337
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 122419767
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 90138333
2-methyl-5-phenylquinolin-6-amine
CID 69132154
2,7-dimethyl-8-(10-methyl-3,6-diaza-10-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaen-11-yl)-[1]benzofuro[2,3-b]pyridine
CID 140861474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine?
The IUPAC name of 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine (CID 176956277) is 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine.
What is the SMILES notation for 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine?
The canonical SMILES for 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine is Cc1ccc2c(n1)oc1c(-c3ccccn3)c(N)ccc12.
What is the InChIKey of 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine?
The InChIKey is YXMWSBDVWBIXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-10-5-6-12-11-7-8-13(18)15(14-4-2-3-9-19-14)16(11)21-17(12)20-10/h2-9H,18H2,1H3.
What are the key properties of 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine?
2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine has a molecular weight of 275.31 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine is sourced from PubChem (CID 176956277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).