4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide

C23H20N2O5 — CID 156871059

IUPAC4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
SMILESCOc1cnccc1C1CC(=O)c2ccc(OCc3ccc(C(N)=O)cc3)cc2O1
InChIInChI=1S/C23H20N2O5/c1-28-22-12-25-9-8-18(22)21-11-19(26)17-7-6-16(10-20(17)30-21)29-13-14-2-4-15(5-3-14)23(24)27/h2-10,12,21H,11,13H2,1H3,(H2,24,27)
InChIKeyHSYOMCWFHSYBNZ-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.47
Rot. Bonds6

About 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide

4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide (PubChem CID 156871059) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide.

Molecular Properties

Compound Name4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
PubChem CID156871059
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
SMILESCOc1cnccc1C1CC(=O)c2ccc(OCc3ccc(C(N)=O)cc3)cc2O1
InChIInChI=1S/C23H20N2O5/c1-28-22-12-25-9-8-18(22)21-11-19(26)17-7-6-16(10-20(17)30-21)29-13-14-2-4-15(5-3-14)23(24)27/h2-10,12,21H,11,13H2,1H3,(H2,24,27)
InChIKeyHSYOMCWFHSYBNZ-UHFFFAOYSA-N
XLogP3.47
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
CID 156871034
2-(2,4-dimethoxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
CID 166628348
2-[2,5-bis(methoxymethoxy)phenyl]-7-(methoxymethoxy)-2,3-dihydrochromen-4-one
CID 156853126
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870991
4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
CID 28557381
1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone
CID 123611279
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 82046281
2-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
CID 166627035
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide?
The IUPAC name of 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide (CID 156871059) is 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide.
What is the SMILES notation for 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide?
The canonical SMILES for 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide is COc1cnccc1C1CC(=O)c2ccc(OCc3ccc(C(N)=O)cc3)cc2O1.
What is the InChIKey of 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide?
The InChIKey is HSYOMCWFHSYBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-28-22-12-25-9-8-18(22)21-11-19(26)17-7-6-16(10-20(17)30-21)29-13-14-2-4-15(5-3-14)23(24)27/h2-10,12,21H,11,13H2,1H3,(H2,24,27).
What are the key properties of 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide?
4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide has a molecular weight of 404.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide is sourced from PubChem (CID 156871059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).