N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide

C18H12N2O2 — CID 805423

IUPACN-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C18H12N2O2/c21-18(20-13-5-3-9-19-11-13)17-10-15-14-6-2-1-4-12(14)7-8-16(15)22-17/h1-11H,(H,20,21)
InChIKeyPUVAJNYQSVNYIB-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.23
Rot. Bonds2

About N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide

N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide (PubChem CID 805423) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide
PubChem CID805423
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC NameN-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C18H12N2O2/c21-18(20-13-5-3-9-19-11-13)17-10-15-14-6-2-1-4-12(14)7-8-16(15)22-17/h1-11H,(H,20,21)
InChIKeyPUVAJNYQSVNYIB-UHFFFAOYSA-N
XLogP4.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bradanicline
CID 25147644
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
2-[2-[(3-aminoazetidin-1-yl)-pyridin-4-ylmethyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251176
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
N-(2-chloropyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1945906
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11754694
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
5-bromo-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852716
2-(4-benzoylphenoxy)-N-pyridin-3-ylacetamide
CID 2534340
5-bromo-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 2988174
N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 24791600

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide (CID 805423) is N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide is O=C(Nc1cccnc1)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide?
The InChIKey is PUVAJNYQSVNYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18(20-13-5-3-9-19-11-13)17-10-15-14-6-2-1-4-12(14)7-8-16(15)22-17/h1-11H,(H,20,21).
What are the key properties of N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide?
N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylbenzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 805423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).