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

C23H20N2O4 — CID 156871034

IUPAC4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
SMILESCc1cc(C2CC(=O)c3ccc(OCc4ccc(C(N)=O)cc4)cc3O2)ccn1
InChIInChI=1S/C23H20N2O4/c1-14-10-17(8-9-25-14)21-12-20(26)19-7-6-18(11-22(19)29-21)28-13-15-2-4-16(5-3-15)23(24)27/h2-11,21H,12-13H2,1H3,(H2,24,27)
InChIKeyWNJBQJZQLZASPS-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.77
Rot. Bonds5

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

4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide (PubChem CID 156871034) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide.

Molecular Properties

Compound Name4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
PubChem CID156871034
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
SMILESCc1cc(C2CC(=O)c3ccc(OCc4ccc(C(N)=O)cc4)cc3O2)ccn1
InChIInChI=1S/C23H20N2O4/c1-14-10-17(8-9-25-14)21-12-20(26)19-7-6-18(11-22(19)29-21)28-13-15-2-4-16(5-3-15)23(24)27/h2-11,21H,12-13H2,1H3,(H2,24,27)
InChIKeyWNJBQJZQLZASPS-UHFFFAOYSA-N
XLogP3.77
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
CID 156871059
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
4-[[2-(2-amino-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]-2-[5-[[2-[2-(benzhydrylideneamino)-4-pyridinyl]-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]-2-cyanophenyl]benzonitrile
CID 156870875
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
2-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
CID 166627035
4-(7-ethyl-4-oxo-2,3-dihydrochromen-2-yl)benzoic acid
CID 82047567
methyl 4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]benzoate
CID 121301339
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide?
The IUPAC name of 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide (CID 156871034) is 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide.
What is the SMILES notation for 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide?
The canonical SMILES for 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide is Cc1cc(C2CC(=O)c3ccc(OCc4ccc(C(N)=O)cc4)cc3O2)ccn1.
What is the InChIKey of 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide?
The InChIKey is WNJBQJZQLZASPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-10-17(8-9-25-14)21-12-20(26)19-7-6-18(11-22(19)29-21)28-13-15-2-4-16(5-3-15)23(24)27/h2-11,21H,12-13H2,1H3,(H2,24,27).
What are the key properties of 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide?
4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide has a molecular weight of 388.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide is sourced from PubChem (CID 156871034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).