N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C23H20N2O3 — CID 45189482

IUPACN-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1Cc2cccc(-c3ccncc3)c2O1)C1Cc2ccccc2O1
InChIInChI=1S/C23H20N2O3/c26-23(21-13-16-4-1-2-7-20(16)28-21)25-14-18-12-17-5-3-6-19(22(17)27-18)15-8-10-24-11-9-15/h1-11,18,21H,12-14H2,(H,25,26)
InChIKeyKZDLYHWCSLUSGE-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.17
Rot. Bonds4

About N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 45189482) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID45189482
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1Cc2cccc(-c3ccncc3)c2O1)C1Cc2ccccc2O1
InChIInChI=1S/C23H20N2O3/c26-23(21-13-16-4-1-2-7-20(16)28-21)25-14-18-12-17-5-3-6-19(22(17)27-18)15-8-10-24-11-9-15/h1-11,18,21H,12-14H2,(H,25,26)
InChIKeyKZDLYHWCSLUSGE-UHFFFAOYSA-N
XLogP3.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 45230085
N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42246567
(2S)-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42169368
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45185758
2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42163523
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide
CID 45165954
3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 74780992
3-(3-methylpyrazol-1-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42165932
3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45187464
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42398905
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
CID 45207708
(2R)-N-[[(2R)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26344560

Frequently Asked Questions

What is the IUPAC name of N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 45189482) is N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC1Cc2cccc(-c3ccncc3)c2O1)C1Cc2ccccc2O1.
What is the InChIKey of N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KZDLYHWCSLUSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-23(21-13-16-4-1-2-7-20(16)28-21)25-14-18-12-17-5-3-6-19(22(17)27-18)15-8-10-24-11-9-15/h1-11,18,21H,12-14H2,(H,25,26).
What are the key properties of N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 45189482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).