N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide

C21H16N2O2 — CID 46948469

IUPACN-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2c(-c3cccnc3)coc12
InChIInChI=1S/C21H16N2O2/c24-21(23-12-15-6-2-1-3-7-15)18-10-4-9-17-19(14-25-20(17)18)16-8-5-11-22-13-16/h1-11,13-14H,12H2,(H,23,24)
InChIKeyBBVAAPQQSAPCRU-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.42
Rot. Bonds4

About N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide

N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide (PubChem CID 46948469) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide
PubChem CID46948469
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2c(-c3cccnc3)coc12
InChIInChI=1S/C21H16N2O2/c24-21(23-12-15-6-2-1-3-7-15)18-10-4-9-17-19(14-25-20(17)18)16-8-5-11-22-13-16/h1-11,13-14H,12H2,(H,23,24)
InChIKeyBBVAAPQQSAPCRU-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide?
The IUPAC name of N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide (CID 46948469) is N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide?
The canonical SMILES for N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide is O=C(NCc1ccccc1)c1cccc2c(-c3cccnc3)coc12.
What is the InChIKey of N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide?
The InChIKey is BBVAAPQQSAPCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21(23-12-15-6-2-1-3-7-15)18-10-4-9-17-19(14-25-20(17)18)16-8-5-11-22-13-16/h1-11,13-14H,12H2,(H,23,24).
What are the key properties of N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide?
N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46948469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).