N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide

C21H16N2O3 — CID 86946761

IUPACN-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3coc4ccccc34)cc2)nc1
InChIInChI=1S/C21H16N2O3/c1-14-6-11-20(22-12-14)26-16-9-7-15(8-10-16)23-21(24)18-13-25-19-5-3-2-4-17(18)19/h2-13H,1H3,(H,23,24)
InChIKeyWCIXITLGXYYOEF-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.18
Rot. Bonds4

About N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide

N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 86946761) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide
PubChem CID86946761
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3coc4ccccc34)cc2)nc1
InChIInChI=1S/C21H16N2O3/c1-14-6-11-20(22-12-14)26-16-9-7-15(8-10-16)23-21(24)18-13-25-19-5-3-2-4-17(18)19/h2-13H,1H3,(H,23,24)
InChIKeyWCIXITLGXYYOEF-UHFFFAOYSA-N
XLogP5.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
5-(1-benzofuran-3-carbonylamino)pyridine-2-carboxamide
CID 75390658
N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114310991
2-methoxy-N-[6-(3-methylphenoxy)-3-pyridinyl]benzamide
CID 42878441
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 50995778
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide
CID 2892917
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide
CID 86974702
4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
CID 155566561
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166200539

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide (CID 86946761) is N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3coc4ccccc34)cc2)nc1.
What is the InChIKey of N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is WCIXITLGXYYOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-14-6-11-20(22-12-14)26-16-9-7-15(8-10-16)23-21(24)18-13-25-19-5-3-2-4-17(18)19/h2-13H,1H3,(H,23,24).
What are the key properties of N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide?
N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 86946761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).