4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide

C24H22N2O4 — CID 156871260

IUPAC4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide
SMILESCCc1cc(Oc2cc(Cc3ccc(C(N)=O)cc3)ccn2)cc2c1C(=O)CCO2
InChIInChI=1S/C24H22N2O4/c1-2-17-13-19(14-21-23(17)20(27)8-10-29-21)30-22-12-16(7-9-26-22)11-15-3-5-18(6-4-15)24(25)28/h3-7,9,12-14H,2,8,10-11H2,1H3,(H2,25,28)
InChIKeyMUJVLLFFINFHLY-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.09
Rot. Bonds6

About 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide

4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide (PubChem CID 156871260) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide
PubChem CID156871260
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide
SMILESCCc1cc(Oc2cc(Cc3ccc(C(N)=O)cc3)ccn2)cc2c1C(=O)CCO2
InChIInChI=1S/C24H22N2O4/c1-2-17-13-19(14-21-23(17)20(27)8-10-29-21)30-22-12-16(7-9-26-22)11-15-3-5-18(6-4-15)24(25)28/h3-7,9,12-14H,2,8,10-11H2,1H3,(H2,25,28)
InChIKeyMUJVLLFFINFHLY-UHFFFAOYSA-N
XLogP4.09
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(4-oxo-8-phenyl-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide
CID 156870878
4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide
CID 156871512
benzamide;4-oxo-7-(pyridin-4-ylmethoxy)-2,3-dihydrochromene-5-carbonitrile
CID 156871230
4-[[2-[(4-oxo-6-propan-2-yl-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
CID 156871188
2-[4-(methylamino)phenoxy]pyridine-4-carboxamide
CID 61028473
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide
CID 168853496
[2-(4-chloro-3-ethylphenoxy)-4-pyridinyl]methanol
CID 61257143
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653452
2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
CID 106486567
4-[[2-(2-methyl-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
CID 156871034
3-hydroxy-4-[[2-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
CID 168740771

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide (CID 156871260) is 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide is CCc1cc(Oc2cc(Cc3ccc(C(N)=O)cc3)ccn2)cc2c1C(=O)CCO2.
What is the InChIKey of 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide?
The InChIKey is MUJVLLFFINFHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-2-17-13-19(14-21-23(17)20(27)8-10-29-21)30-22-12-16(7-9-26-22)11-15-3-5-18(6-4-15)24(25)28/h3-7,9,12-14H,2,8,10-11H2,1H3,(H2,25,28).
What are the key properties of 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide?
4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-ethyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 156871260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).