N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine

C19H16N2O2 — CID 50908681

IUPACN-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESCOc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
InChIInChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
InChIKeyMNMQBQOLMHVBJT-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.60
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine

N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine (PubChem CID 50908681) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
PubChem CID50908681
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESCOc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
InChIInChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
InChIKeyMNMQBQOLMHVBJT-UHFFFAOYSA-N
XLogP4.60
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine (CID 50908681) is N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine is COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The InChIKey is MNMQBQOLMHVBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine has a molecular weight of 304.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 50908681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).