N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide

C22H18N2O3 — CID 46470158

IUPACN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1
InChIInChI=1S/C22H18N2O3/c25-22(21-13-17-7-1-2-10-20(17)27-21)24-14-16-6-5-9-19(12-16)26-15-18-8-3-4-11-23-18/h1-13H,14-15H2,(H,24,25)
InChIKeyGOWWAUNIHPVHLR-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.34
Rot. Bonds6

About N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide

N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 46470158) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID46470158
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1
InChIInChI=1S/C22H18N2O3/c25-22(21-13-17-7-1-2-10-20(17)27-21)24-14-16-6-5-9-19(12-16)26-15-18-8-3-4-11-23-18/h1-13H,14-15H2,(H,24,25)
InChIKeyGOWWAUNIHPVHLR-UHFFFAOYSA-N
XLogP4.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46487608
5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46470172
5-morpholin-4-ylsulfonyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 46470216
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55714430
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709579
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 46470158) is N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is GOWWAUNIHPVHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-22(21-13-17-7-1-2-10-20(17)27-21)24-14-16-6-5-9-19(12-16)26-15-18-8-3-4-11-23-18/h1-13H,14-15H2,(H,24,25).
What are the key properties of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide?
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46470158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).